Conforming the measured lifetimes of the $5d \\ ^2D_{3/2,5/2}$ states in Cs with theory
Sahoo, B K
2015-01-01
We find very good agreement between our theoretically evaluated lifetimes of the $5d \\ ^2D_{3/2}$ and $5d \\ ^2D_{5/2}$ states of Cs with the experimental values reported in [Phys. Rev. A {\\bf 57}, 4204 (1998)], which were earlier evinced to be disagreeing with an earlier rigorous theoretical study [Phys. Rev. A {\\bf 69}, 040501(R) (2004)] and with another precise measurement [Opt. Lett. {\\bf 21}, 74 (1996)]. In this work, we have carried out calculations of the radiative transition matrix elements using many variants of relativistic many-body methods, mainly in the coupled-cluster theory framework, and analyze propagation of the electron correlation effects to elucidate their roles for accurate evaluations of the matrix elements. We also demonstrate contributions explicitly from the Dirac-Coulomb interactions, frequency independent Breit interaction and lower order quantum electrodynamics (QED) effects. Uncertainties to these matrix elements due to different possible sources of errors are estimated. By combin...
Thermal ionization of Cs Rydberg states
Glukhov, I. L.; Ovsiannikov, V. D.
2009-01-01
Rates Pnl of photoionization from Rydberg ns-, np-, nd-states of a valence electron in Cs, induced by black-body radiation, were calculated on the basis of the modified Fues model potential method. The numerical data were approximated with a three-term expression which reproduces in a simple analytical form the dependence of Pnl on the ambient temperature T and on the principal quantum number n. The comparison between approximate and exactly calculated values of the thermal ionization rate demonstrates the applicability of the proposed approximation for highly excited states with n from 20 to 100 in a wide temperature range of T from 100 to 10,000 K. We present coefficients of this approximation for the s-, p- and d-series of Rydberg states.
Theory of field induced incommensurability: CsFeCl3
DEFF Research Database (Denmark)
Lindgård, Per-Anker
1986-01-01
Using correlation theory for the singlet-doublet magnet CsFeCl3 in a magnetic field, a field induced incommensurate ordering along K-M is predicted without invoking dipolar effects. A fully self-consistent RPA theory gives Hc=44 kG in agreement with experiments at T=1.3K. Correlation and dipolar ...
Scattering matrix theory for Cs Rydberg atoms in magnetic field
Institute of Scientific and Technical Information of China (English)
2008-01-01
Based on the closed orbit theory framework together with the quantum defect the-ory and time-independent scattering matrices theory,we calculate the recurrence spectra of diamagnetic Cs atoms at several different scaled energies near the second ionization threshold.It is revealed that the new extra peaks in spectra are attributed to the combination recurrences of semiclassical closed orbits arising from core-scattered events.This method considers the dynamic states of the Rydberg electron in the core region and long-range region and can be analytically resumed to include all orders of core-scattering automatically.With this approach a convergent recurrence spectrum can be reasonably achieved.It is found that the spectral complexity depends highly sensitively on the scaled energy.With the in-crease of the scaled energy,the spectral structure changes from simple to com-plicate and the dynamic feature from regular to chaotic.The comparison of the re-currence spectra with Dando’s result under the same conditions demonstrates that there exist some similarities and differences between them,and furthermore,the feasibility of the scattering matrix method is explained.
DEFF Research Database (Denmark)
Lindgård, P.-A.; Schmid, B.
1993-01-01
the experimental data can be excellently described by the self-consistent random-phase approximation results. For magnetic fields near the critical magnetic field only qualitative conclusions can be obtained. Numerical results for the critical scattering, the correlation lengths, and the specific heat, which....... A sophisticated numerical and graphical method leads to a self-consistent determination of the induced magnetization and the quadrupole moment as well as to the determination of the excitation spectrum for CsFeBr3 and CsFeCl3 as a function of the magnetic field. For magnetic fields below the phase transition...
The state of Cs-137 in natural water solution
Energy Technology Data Exchange (ETDEWEB)
Toropova, V.V.; Toropov, I.G.; Davydov, Yu.P. [Institute of Radioecological, Minsk (Belarus); Efremenkov, V.M. [Institute of Power Engineering, Minsk (Belarus)
1996-12-31
The state of Cs radionuclides has been studied in natural water systems - waters of some rivers, water channel, marshes. Investigations were performed using methods of ultrafiltration, dialysis, ion exchange. Based on experimental results obtained conclusions were made on state of radiocaesium in natural waters. It was shown, that Cs in such solutions presents mainly in ionic form. It is shown, how Cs may change its dispersion conditions in natural waters.
Half-metallic ferromagnetism in the CsSe compound by density functional theory
Energy Technology Data Exchange (ETDEWEB)
Karaca, Mustafa; Kervan, Selçuk; Kervan, Nazmiye, E-mail: nkervan@gazi.edu.tr
2015-08-05
Graphical abstract: The ferromagnetic ground state of the CsSe compound is the most stable with CsCl-type structure with a total magnetic moment of 1 μ{sub B}/f.u. although this compound does not include transition metal atoms. The CsSe compound is half-metallic ferromagnet with a half-metallic band gap of 3.75 eV. The half-metallicity is also found to be robust with respect to the lattice distortion in the CsCl-type structure. The Curie temperature is estimated to be 390 K in the mean field approximation (MFA). - Highlights: • The CsSe compound is the most stable with CsCl-type structure. • The half-metallic band gap is about 3.5 eV for all types of structure. • The total magnetic moment is of 1 μ{sub B}/f.u. • The Curie temperature is estimated to be 390 K. - Abstract: The full-potential linearized augmented plane wave (FPLAPW) method based on the density functional theory is used to investigate the structural, magnetic and half-metallic properties of the CsSe compound in the CsCl-type, NaCl-type, ZnS-type, NiAs-type and wurtzite structures. The results show that the ferromagnetic ground state of the CsSe compound is the most stable with CsCl-type structure with a total magnetic moment of 1 μ{sub B}/f.u. although this compound does not include transition metal atoms. The CsSe compound is half-metallic ferromagnet for all types of structure. The half-metallic band gap is about 3.5 eV for all types of structure. The Curie temperature is estimated to be 390 K in the mean field approximation (MFA)
High spin states in odd-odd {sup 132}Cs
Energy Technology Data Exchange (ETDEWEB)
Hayakawa, Takehito [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Lu, J.; Furuno, K. [and others
1998-03-01
Excited states with spin larger than 5 {Dirac_h} were newly established in the {sup 132}Cs nucleus via the {sup 124}Sn({sup 11}B,3n) reaction. Rotational bands built on the {nu}h{sub 11/2} x {pi}d{sub 5/2}, {nu}h{sub 11/2} x {pi}g{sub 7/2} and {nu}h{sub 11/2} x {pi}h{sub 11/2} configurations were observed up to spin I {approx} 16 {Dirac_h}. The {nu}h{sub 11/2} x {pi}h{sub 11/2} band shows inverted signature splitting below I < 14 {Dirac_h}. A dipole band was firstly observed in doubly odd Cs nuclei. (author)
Variational Transition State Theory
Energy Technology Data Exchange (ETDEWEB)
Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)
2016-09-29
This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.
Xiao, Zewen; Zhang, Xiao; Zhou, Yuanyuan; Hosono, Hideo; Kamiya, Toshio
2015-01-01
Cs2SnI6, a variant of perovskite CsSnI3, is expected for a photovoltaic material. Based on a simple ionic model, it is expected that Cs2SnI6 is composed of Cs+, I-, and Sn4+ ions and that the band gap is primarily made of occupied I- 5p6 valence band maximum (VBM) and unoccupied Sn4+ 5s conduction band minimum (CBM) similar to SnO2. In this work, we performed density functional theory (DFT) calculations and revealed that the real charge state of the Sn ion in this compound is +2 similar to CsSnI3. This is due to strong covalent nature between the I ion and the Sn ion, the VBM consists of I 5p - I 5p antibonding states, and the CBM of I 5p - Sn 5s antibonding states. The +2 oxidation state of Sn is realized by the apparent charge state of I-2/3, because the I 5p - Sn 5s antibonding states form the unoccupied CBM and apparently 1/18 of the I 5p orbitals are unoccupied. These results are further supported by comparing chemical bonding analyses with those of related compounds. The chemical stability of the Cs2SnI...
Harrison, Walter A
2011-01-01
""A well-written text . . . should find a wide readership, especially among graduate students."" - Dr. J. I. Pankove, RCA.The field of solid state theory, including crystallography, semi-conductor physics, and various applications in chemistry and electrical engineering, is highly relevant to many areas of modern science and industry. Professor Harrison's well-known text offers an excellent one-year graduate course in this active and important area of research. While presenting a broad overview of the fundamental concepts and methods of solid state physics, including the basic quantum theory o
Variational transition state theory
Energy Technology Data Exchange (ETDEWEB)
Truhlar, D.G. [Univ. of Minnesota, Minneapolis (United States)
1993-12-01
This research program involves the development of variational transition state theory (VTST) and semiclassical tunneling methods for the calculation of gas-phase reaction rates and selected applications. The applications are selected for their fundamental interest and/or their relevance to combustion.
Creation of ultracold $^{87}$RbCs molecules in the rovibrational ground state
Molony, Peter K; Ji, Zhonghua; Lu, Bo; Köppinger, Michael P; Sueur, C Ruth Le; Blackley, Caroline L; Hutson, Jeremy M; Cornish, Simon L
2014-01-01
We report the creation of a sample of over 1000 ultracold $^{87}$RbCs molecules in the lowest rovibrational ground state, from an atomic mixture of $^{87}$Rb and Cs, by magnetoassociation on an interspecies Feshbach resonance followed by stimulated Raman adiabatic passage (STIRAP). We measure the binding energy of the RbCs molecule to be $h c \\times 3811.576(1)$ cm$^{-1}$ and the $|\
Interplay of IR-Improved DGLAP-CS Theory and NLO Parton Shower MC Precision
Ward, B F L; Yost, S A
2013-01-01
We present the interplay between the new IR-improved DGLAP-CS theory and the precision of NLO parton shower/ME matched MC`s as it is realized by the new MC Herwiri1.031 in interface to MC@NLO. We discuss phenomenological implications using comparisons with recent LHC data on single heavy gauge boson production.
Takabayashi, Yasuhiro; Ganin, Alexey Y; Jeglic, Peter; Arcon, Denis; Takano, Takumi; Iwasa, Yoshihiro; Ohishi, Yasuo; Takata, Masaki; Takeshita, Nao; Prassides, Kosmas; Rosseinsky, Matthew J
2009-03-20
The body-centered cubic A15-structured cesium fulleride Cs3C60 is not superconducting at ambient pressure and is free from disorder, unlike the well-studied face-centered cubic A3C60 alkali metal fulleride superconductors. We found that in Cs3C60, where the molecular valences are precisely assigned, the superconducting state at 38 kelvin emerges directly from a localized electron antiferromagnetic insulating state with the application of pressure. This transition maintains the threefold degeneracy of the active orbitals in both competing electronic states; it is thus a purely electronic transition to a superconducting state, with a dependence of the transition temperature on pressure-induced changes of anion packing density that is not explicable by Bardeen-Cooper-Schrieffer (BCS) theory.
{sup 137}Cs inventory in sedimentary columns from continental shelf of Sao Paulo state
Energy Technology Data Exchange (ETDEWEB)
Figueira, Rubens C.L.; Cordero, Luisa M.; Mahiques, Michel M. de; Tessler, Moyses G., E-mail: rfigueira@usp.b [Universidade de Sao Paulo (USP), SP (Brazil). Inst. Oceanografico. Dept. de Oceanografia Fisica, Quimica e Geologica; Cruz, Jacson L.S. [Universidade Cruzeiro do Sul, Sao Paulo, SP (Brazil)
2009-07-01
{sup 137}Cs is an artificial radioactive isotope produced by {sup 235}U fission. This radionuclide has a high fission yield and a half-life of 30 years. It has been detected in the environment since 1945 and its principal contamination source has been nuclear tests in the atmosphere. There are other sources of {sup 137}Cs contamination in the environment, such as: release from nuclear and reprocessing plants, radioactive dumping and nuclear accidents (Chernobyl, for example). This paper presents an inventory of {sup 137}Cs on the Continental Shelf of Sao Paulo State, a region located between Cabo de Santa Marta Grande (Santa Catarina state) and Cabo Frio (Rio de Janeiro state). In this area, 9 cores were collected by the Instituto Oceanografico da Universidade de Sao Paulo (Sao Paulo University Institute of Oceanography). The cores were sliced at every 2 cm; sub-samples were lyophilized, grinded and stored in plastic containers. {sup 137}Cs was determined by 661 keV photopeak using a gamma spectrometry detector (Ge hyperpure). The analysis was performed by efficiency and background in different counting times. {sup 137}Cs concentration activities varied from 0.3 to 3.6 Bq kg{sup -1} with a mean value of 1.2+-0.6 Bq kg{sup -1}. The inventory of {sup 137}Cs in this area was 13+-7 Bq m-2. Values obtained are in agreement with the Southern Hemisphere, a region contaminated by atmospheric fallout due to past nuclear explosions. (author)
Probability state modeling theory.
Bagwell, C Bruce; Hunsberger, Benjamin C; Herbert, Donald J; Munson, Mark E; Hill, Beth L; Bray, Chris M; Preffer, Frederic I
2015-07-01
As the technology of cytometry matures, there is mounting pressure to address two major issues with data analyses. The first issue is to develop new analysis methods for high-dimensional data that can directly reveal and quantify important characteristics associated with complex cellular biology. The other issue is to replace subjective and inaccurate gating with automated methods that objectively define subpopulations and account for population overlap due to measurement uncertainty. Probability state modeling (PSM) is a technique that addresses both of these issues. The theory and important algorithms associated with PSM are presented along with simple examples and general strategies for autonomous analyses. PSM is leveraged to better understand B-cell ontogeny in bone marrow in a companion Cytometry Part B manuscript. Three short relevant videos are available in the online supporting information for both of these papers. PSM avoids the dimensionality barrier normally associated with high-dimensionality modeling by using broadened quantile functions instead of frequency functions to represent the modulation of cellular epitopes as cells differentiate. Since modeling programs ultimately minimize or maximize one or more objective functions, they are particularly amenable to automation and, therefore, represent a viable alternative to subjective and inaccurate gating approaches.
Multiparticle states in the S = 1 chain system CsNiCl_{3}
DEFF Research Database (Denmark)
Kenzelmann, M.; Cowley, R.A.; Buyers, W.J.L.
2001-01-01
A continuum of magnetic states has been observed by neutron scattering from the spin-1 chain compound CsNiCl3 in its disordered gapped one-dimensional phase. Results using both triple-axis and time-of-flight spectrometers show that around the antiferromagnetic point Q(c) = pi, the continuum lies...
Triplet-singlet conversion in ultracold Cs$_2$ and production of ground state molecules
Bouloufa, Nadia; Aymar, Mireille; Dulieu, Olivier
2010-01-01
We propose a process to convert ultracold metastable Cs$_2$ molecules in their lowest triplet state into (singlet) ground state molecules in their lowest vibrational levels. Molecules are first pumped into an excited triplet state, and the triplet-singlet conversion is facilitated by a two-step spontaneous decay through the coupled $A^{1}\\Sigma_{u}^{+} \\sim b ^{3}\\Pi_{u}$ states. Using spectroscopic data and accurate quantum chemistry calculations for Cs$_2$ potential curves and transition dipole moments, we show that this process has a high rate and competes favorably with the single-photon decay back to the lowest triplet state. In addition, we demonstrate that this conversion process represents a loss channel for vibrational cooling of metastable triplet molecules, preventing an efficient optical pumping cycle down to low vibrational levels.
Spin-Exchange Collisions of the Ground State of Cs Atoms in a High Magnetic Field
Institute of Scientific and Technical Information of China (English)
FU Li-Ping; LUO Jun; ZENG Xi-Zhi
2000-01-01
Cs atoms were optically pumped with a Ti:sapphire laser in a magnetic field of 1.516 T. Steady absorption spectra and populations of Zeeman sublevels of the ground state of Cs in N2 gas at various pressures (5, 40, and 80 Torr)were obtained. The results show that in a high magnetic field, the combined electron-nuclear spin transition(flip-flop transition), which is mainly induced by the collision modification δa( J.I)of hyperfine interaction, is an important relaxation mechanism at high buffer-gas pressures.
133Cs and 75As NMR investigation of the normal metallic state of quasi-one-dimensional Cs2Cr3As3
Zhi, Haizhao; Lee, Drake; Imai, Takashi; Tang, Zhangtu; Liu, Yi; Cao, Guanghan
2016-05-01
We report 133Cs NMR and 75As nuclear quadrupole resonance (NQR) measurements on the normal metallic state above Tc of a quasi-one-dimensional superconductor Cs2Cr3As3 (Tc<1.6 K). From the 133Cs NMR Knight shift 133K measured at the Cs1 site, we show that the uniform spin susceptibility χspin increases from 295 K to ˜60 K, followed by a mild suppression; χspin then levels off below ˜10 K. In contrast, a vanishingly small magnitude of 133K indicates that Cs2 sites contribute very little to electrical conduction and the exchange interactions between 3d electrons at Cr sites. Low frequency Cr spin dynamics, reflected on 75As1 /T1T (the nuclear spin-lattice relaxation rate 1 /T1 divided by temperature T ), shows an analogous trend as χspin. Comparison with the results of 1 /T1T near Tc with K2Cr3As3 (Tc=6.1 K) and Rb2Cr3As3 (Tc=4.8 K) establishes a systematic trend that substitution of K+ ions with larger alkali ions progressively suppresses Cr spin fluctuations together with Tc.
Geometric scaling of Efimov states in a ⁶Li-¹³³Cs mixture.
Tung, Shih-Kuang; Jiménez-García, Karina; Johansen, Jacob; Parker, Colin V; Chin, Cheng
2014-12-12
In few-body physics, Efimov states are an infinite series of three-body bound states that obey universal discrete scaling symmetry when pairwise interactions are resonantly enhanced. Despite abundant reports of Efimov states in recent cold atom experiments, direct observation of the discrete scaling symmetry remains an elusive goal. Here we report the observation of three consecutive Efimov resonances in a heteronuclear Li-Cs mixture near a broad interspecies Feshbach resonance. The positions of the resonances closely follow a geometric series 1, λ, λ². The observed scaling constant λ(exp)=4.9(4) is in good agreement with the predicted value of 4.88.
Geometric Scaling of Efimov States in a 6Li - 133Cs Mixture
Tung, Shih-Kuang; Jiménez-García, Karina; Johansen, Jacob; Parker, Colin V.; Chin, Cheng
2014-12-01
In few-body physics, Efimov states are an infinite series of three-body bound states that obey universal discrete scaling symmetry when pairwise interactions are resonantly enhanced. Despite abundant reports of Efimov states in recent cold atom experiments, direct observation of the discrete scaling symmetry remains an elusive goal. Here we report the observation of three consecutive Efimov resonances in a heteronuclear Li-Cs mixture near a broad interspecies Feshbach resonance. The positions of the resonances closely follow a geometric series 1, λ , λ2. The observed scaling constant λexp=4.9 (4 ) is in good agreement with the predicted value of 4.88.
Quantum Transition-State Theory
Hele, Timothy J H
2014-01-01
This dissertation unifies one of the central methods of classical rate calculation, `Transition-State Theory' (TST), with quantum mechanics, thereby deriving a rigorous `Quantum Transition-State Theory' (QTST). The resulting QTST is identical to ring polymer molecular dynamics transition-state theory (RPMD-TST), which was previously considered a heuristic method, and whose results we thereby validate. The key step in deriving a QTST is alignment of the flux and side dividing surfaces in path-integral space to obtain a quantum flux-side time-correlation function with a non-zero $t\\to 0_+$ limit. We then prove that this produces the exact quantum rate in the absence of recrossing by the exact quantum dynamics, fulfilling the requirements of a QTST. Furthermore, strong evidence is presented that this is the only QTST with positive-definite Boltzmann statistics and therefore the pre-eminent method for computation of thermal quantum rates in direct reactions.
Ramanantoanina, Harry; Urland, Werner; Cimpoesu, Fanica; Daul, Claude
2013-09-07
Herein we present a Ligand Field Density Functional Theory (LFDFT) based methodology for the analysis of the 4f(n)→ 4f(n-1)5d(1) transitions in rare earth compounds and apply it for the characterization of the 4f(2)→ 4f(1)5d(1) transitions in the quantum cutter Cs2KYF6:Pr(3+) with the elpasolite structure type. The methodological advances are relevant for the analysis and prospection of materials acting as phosphors in light-emitting diodes. The positions of the zero-phonon energy corresponding to the states of the electron configurations 4f(2) and 4f(1)5d(1) are calculated, where the praseodymium ion may occupy either the Cs(+)-, K(+)- or the Y(3+)-site, and are compared with available experimental data. The theoretical results show that the occupation of the three undistorted sites allows a quantum-cutting process. However size effects due to the difference between the ionic radii of Pr(3+) and K(+) as well as Cs(+) lead to the distortion of the K(+)- and the Cs(+)-site, which finally exclude these sites for quantum-cutting. A detailed discussion about the origin of this distortion is also described.
Lifetimes of High Spin States in an Odd-Proton Nucleus 129Cs
Wang, Lie-Lin; Zhu, Li-Hua; Lu, Jing-Bin; Wu, Xiao-Guang; Li, Guang-Sheng; Hao, Xin; Zheng, Yun; He, Chuang-Ye; Wang, Lei; Li, Xue-Qin; Liu, Ying; Pan, Bo; Zhao, Yan-Xin; Li, Zhong-Yu; Ding, Huai-Bo
2010-02-01
Lifetimes of high spin states in 129Cs are measured using the Doppler shift attenuation method. The high spin states of 129Cs are populated following the fusion evaporation reaction 124Sn(11B, 6n)129Cs at a beam energy of 65 MeV. The reduced transition probabilities B(E2) and the transition quadrupole moments Qt in the negative- and positive-parity bands are deduced. The experimental results indicate that the Qt values of the negative parity band are smaller than those of the positive parity bands, probably due to different γ-deformation driving effects of different proton orbitals. The Qt values exhibit a considerable increase near the band crossing region in these bands. This behavior demonstrates that nuclear shape changing results from the neutron or proton alignments. The signature splitting of the πh11/2 and πg7/2 bands shows the opposite changing trend after backbending due to the h11/2 neutron and h11/2 proton alignments, respectively.
Theoretical study on decay of the 4d core-excited states of Cs Ⅲ
Institute of Scientific and Technical Information of China (English)
Ding Xiao-Bin; Dong Chen-Zhong; Stephan Fritzsche
2008-01-01
In a recent XUV photoabsorption spectrum of Cs Ⅲ ions by Cummings and O'Sullivan [2001 J. Phys. B 34 199], rather large linewidths were found for the 4d 95s25p6 - 4d 105s25p5 transition which are quite in disagreement with corresponding quasi-relativistic multiconfiguration Hartree-Fock (MCHF) calculation. In the present work, a detailed multiconfiguration Dirac-Fock study has been carried out to explore this discrepancy. Owing to the detailed consid- eration of electron correlation effects, some 'forbidden' Auger decay channels, such as 4d 105s25p35d and 4d105s05p6, would become 'open'. As a result, remarkable improvement of the linewidths has been obtained in our calculation. Furthermore, the theoretical Auger spectrum of the 4d 95s25p6 core-excited states of Cs Ⅲ ions is given in the present work.
Pulsed excitation of Rydberg-atom-pair states in an ultracold Cs gas
Saßmannshausen, Heiner; Deiglmayr, Johannes
2015-01-01
Pulsed laser excitation of a dense ultracold Cs vapor has been used to study the pairwise interactions between Cs atoms excited to $n$p$_{3/2}$ Rydberg states of principal quantum numbers in the range $n=22-36$. Molecular resonances were observed that correspond to excitation of Rydberg-atom-pair states correlated not only to the $n$p$_{3/2}+n$p$_{3/2}$ dissociation asymptotes, but also to $n$s$_{1/2}+(n+1)$s$_{1/2}$, $n$s$_{1/2}+n'$f$_{j}$, and $(n-4)$f$_{j}+(n-3)$f$_{j}$ $(j=5/2,7/2)$ dissociation asymptotes. These pair resonances are interpreted as arising from dipole-dipole, and higher long-range-interaction terms between the Rydberg atoms on the basis of i) their spectral positions, ii) their response to static and pulsed electric fields, and iii) millimeter-wave spectra between pair states correlated to different pair-dissociation asymptotes. The Rydberg-atom--pair states were found to spontaneously decay by Penning ionization and the dynamics of the ionization process were investigated during the first...
Elastic Scattering of Ultracold 133Cs and 85Rb Atoms in Triplet State
Institute of Scientific and Technical Information of China (English)
SUN Jin-Feng; HU Qiu-Bo; ZHU Zun-Lue; WANG Xiao-Fei; ZHANG Ji-Cai
2007-01-01
Elastic scattering properties of the ultracold interaction for the triplet state of 133Cs and 85Rb atoms are studied using two kinds of potentials by the same phase Φ. One is the interpolation potential, and another is Lennard-Jones potential (L J12,6). The radial Schr(o)dinger equation is also solved using two computational methods, the semiclassical method (WKB), and the Numerov method. Our results are found to be in an excellent agreement with the more recent theoretical values. It shows that the two potentials and methods are applicable for studying ultracold collisions between the mixing alkali atoms.
Manticore and CS mode : parallelizable encryption with joint cipher-state authentication.
Energy Technology Data Exchange (ETDEWEB)
Torgerson, Mark Dolan; Draelos, Timothy John; Schroeppel, Richard Crabtree; Miller, Russell D.; Beaver, Cheryl Lynn; Anderson, William Erik
2004-10-01
We describe a new mode of encryption with inexpensive authentication, which uses information from the internal state of the cipher to provide the authentication. Our algorithms have a number of benefits: (1) the encryption has properties similar to CBC mode, yet the encipherment and authentication can be parallelized and/or pipelined, (2) the authentication overhead is minimal, and (3) the authentication process remains resistant against some IV reuse. We offer a Manticore class of authenticated encryption algorithms based on cryptographic hash functions, which support variable block sizes up to twice the hash output length and variable key lengths. A proof of security is presented for the MTC4 and Pepper algorithms. We then generalize the construction to create the Cipher-State (CS) mode of encryption that uses the internal state of any round-based block cipher as an authenticator. We provide hardware and software performance estimates for all of our constructions and give a concrete example of the CS mode of encryption that uses AES as the encryption primitive and adds a small speed overhead (10-15%) compared to AES alone.
Collisions of alkali-metal atoms Cs and Rb in the ground state. Spin exchange cross sections
Kartoshkin, V. A.
2016-09-01
Collisions of alkali-metal atoms 133Cs and 85Rb in the ground state are considered in the energy interval of 10-4-10-2 au. Complex cross sections of the spin exchange, which allow one to calculate the processes of polarization transfer and the relaxation times, as well as the magnetic resonance frequency shifts caused by spin exchange Cs-Rb collisions, are obtained.
You, Pei-Lin
2008-01-01
The linear Stark effect shows that the first excited state of hydrogen atom has large permanent electric dipole moment (EDM), d(H)=3eao (ao is Bohr radius). Using special capacitors our experiments discovered that the ground state K, Rb or Cs atom is polar atom with a large EDM of the order of eao as hydrogen atom of excited state. Their capacitance(C) at different voltage (V) was measured. The C-V curve shows that the saturation polarization of K, Rb or Cs vapor has be observed when the field E more than ten to the fifth power V/m. When the saturation polarization appeared, nearly all K, Rb or Cs atoms(more than 98 percent) turned toward the direction of the field, and C is approximately equal to Co (Co is vacuum capacitance) or their dielectric constant is nearly the same as vacuum! K, Rb or Cs vapor just exist in the lowest energy state, so we see the vacuum state containing a large number of atoms! Due to the saturation polarization of hydrogen vapor of excited state is easily appears, we conjecture that ...
Izosimov, I. N.
2015-10-01
It has been shown that IAS, DIAS, CS, and DCS can simultaneously have n-n, n-p, and p-p halo components in their wave functions. Differences in halo structure of the excited and ground states can result in the formation of isomers (halo-isomers). Both the Borromean and tango halo types can be observed for n-p configurations of atomic nuclei. The structure of the ground and excited states with different isospin quantum number in halo like nuclei is discussed. B(Mλ) and B(Eλ) for γ-transitions in 6,7,8Li, 8,9,10Be, 8,10,11B, 10,11,12,13,14C, 13,14,15,16,17N, 15,16,17,19O, and 17F are analyzed. Special attention is given to nuclei whose ground state does not exhibit halo structure but the excited state may have one.
Hadronic density of states from string theory.
Pando Zayas, Leopoldo A; Vaman, Diana
2003-09-12
We present an exact calculation of the finite temperature partition function for the hadronic states corresponding to a Penrose-Güven limit of the Maldacena-Nùñez embedding of the N=1 super Yang-Mills (SYM) into string theory. It is established that the theory exhibits a Hagedorn density of states. We propose a semiclassical string approximation to the finite temperature partition function for confining gauge theories admitting a supergravity dual, by performing an expansion around classical solutions characterized by temporal windings. This semiclassical approximation reveals a hadronic energy density of states of a Hagedorn type, with the coefficient determined by the gauge theory string tension as expected for confining theories. We argue that our proposal captures primarily information about states of pure N=1 SYM theory, given that this semiclassical approximation does not entail a projection onto states of large U(1) charge.
Mass Renormalization in String Theory: General States
Pius, Roji; Sen, Ashoke
2014-01-01
In a previous paper we described a procedure for computing the renormalized masses and S-matrix elements in bosonic string theory for a special class of massive states which do not mix with unphysical states under renormalization. In this paper we extend this result to general states in bosonic string theory, and argue that only the squares of renormalized physical masses appear as the locations of the poles of the S-matrix of other physical states. We also discuss generalizations to Neveu-Schwarz sector states in heterotic and superstring theories.
Final Technical Report: Variational Transition State Theory
Energy Technology Data Exchange (ETDEWEB)
Truhlar, Donald G. [University of Minnesota; Truhlar, Donald G. [University of Minnesota
2016-09-15
Complex molecules often have many structures (conformations) of the reactants and the transition states, and these structures may be connected by coupled-mode torsions and pseudorotations; some but not all structures may have hydrogen bonds in the transition state or reagents. A quantitative theory of the reaction rates of complex molecules must take account of these structures, their coupledmode nature, their qualitatively different character, and the possibility of merging reaction paths at high temperature. We have recently developed a coupled-mode theory called multi-structural variational transition state theory (MS-VTST) and an extension, called multi-path variational transition state theory (MP-VTST), that includes a treatment of the differences in the multidimensional tunneling paths and their contributions to the reaction rate. The MP-VTST method was presented for unimolecular reactions in the original paper and has now been extended to bimolecular reactions. The MS-VTST and MPVTST formulations of variational transition state theory include multi-faceted configuration-space dividing surfaces to define the variational transition state. They occupy an intermediate position between single-conformation variational transition state theory (VTST), which has been used successfully for small molecules, and ensemble-averaged variational transition state theory (EAVTST), which has been used successfully for enzyme kinetics. The theories are illustrated and compared here by application to three thermal rate constants for reactions of ethanol with hydroxyl radical—reactions with 4, 6, and 14 saddle points.
Non-Supersymmetric CS-Matter Theories with Known AdS Duals
Directory of Open Access Journals (Sweden)
Davide Forcella
2011-01-01
Full Text Available We consider three-dimensional conformal field theories living on a stack of N anti-M2 branes at the tip of eight-dimensional supersymmetric cones. The corresponding supergravity solution is obtained by changing sign to the four-form in the Freund-Rubin solution representing M2 branes (“skew-whiffing” transformation and it is known to be stable. The existence of these non-supersymmetric, stable field theories, at least in the large N limit, is a peculiarity of the AdS 4 / CFT 3 correspondence with respect to the usual AdS 5 / CFT 4 , and it is worthwhile to study it. We analyze in detail the KK spectrum of the skew-whiffed solution associated with S 7 / ℤ k and we speculate on the natural field content for a candidate non-supersymmetric dual field theory.
Non-supersymmetric CS-matter theories with known AdS duals
Forcella, Davide
2011-01-01
We consider three dimensional conformal field theories living on a stack of N anti-M2 branes at the tip of eight-dimensional supersymmetric cones. The corresponding supergravity solution is obtained by changing sign to the four-form in the Freund-Rubin solution representing M2 branes ("skew-whiffing" transformation) and it is known to be stable. The existence of these non supersymmetric, stable field theories, at least in the large N limit, is a peculiarity of the AdS4/CFT3 correspondence with respect to the usual AdS5/CFT4, and it is worthwhile to study it. We analyze in detail the KK spectrum of the skew-whiffed solution associated with S^7/Z_k and we speculate on the natural field content for a candidate non-supersymmetric dual field theory.
Energy Technology Data Exchange (ETDEWEB)
Izosimov, I. N., E-mail: izosimov@jinr.ru [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation)
2015-10-15
It has been shown that IAS, DIAS, CS, and DCS can simultaneously have n-n, n-p, and p-p halo components in their wave functions. Differences in halo structure of the excited and ground states can result in the formation of isomers (halo-isomers). Both the Borromean and tango halo types can be observed for n-p configurations of atomic nuclei. The structure of the ground and excited states with different isospin quantum number in halo like nuclei is discussed. B(Mλ) and B(Eλ) for γ-transitions in {sup 6,7,8}Li, {sup 8,9,10}Be, {sup 8,10,11}B, {sup 10,11,12,13,14}C, {sup 13,14,15,16,17}N, {sup 15,16,17,19}O, and {sup 17}F are analyzed. Special attention is given to nuclei whose ground state does not exhibit halo structure but the excited state may have one.
State of Fukushima nuclear fuel debris tracked by Cs137 in cooling water.
Grambow, B; Mostafavi, M
2014-11-01
It is still difficult to assess the risk originating from the radioactivity inventory remaining in the damaged Fukushima nuclear reactors. Here we show that cooling water analyses provide a means to assess source terms for potential future releases. Until now already about 34% of the inventories of (137)Cs of three reactors has been released into water. We found that the release rate of (137)Cs has been constant for 2 years at about 1.8% of the inventory per year indicating ongoing dissolution of the fuel debris. Compared to laboratory studies on spent nuclear fuel behavior in water, (137)Cs release rates are on the higher end, caused by the strong radiation field and oxidant production by water radiolysis and by impacts of accessible grain boundaries. It is concluded that radionuclide analyses in cooling water allow tracking of the conditions of the damaged fuel and the associated risks.
Directory of Open Access Journals (Sweden)
Arlenice Almeida da Silva
2006-01-01
Full Text Available O presente artigo investiga como A teoria do romance (1916 de G. Lukács, um texto fragmentado e de ocasião, tornou-se um clássico da reflexão sobre a modernidade. Para Lukács, o romance é a forma artística que corresponde à fratura entre o sujeito e o mundo, vivida pelo homem contemporâneo. Utilizando o conceito de "símbolo esvaziado" este texto apreende em que medida o autor ao rever as classificações anteriores sobre o gênero romance, perpetua a tradição romântica ou rompe com ela, elaborando conceitos originais para a compreensão da modernidade na literatura.The present article investigates how G. Lukács's Theory of the romance (1916, a fragmented and of occasion text, became a classic of the reflection on modernity. For Lukács, the novel is the correspondent artistic form to the fracture between the subject and the world, lived by the contemporary man. Using the concept of "emptied symbol" this text apprehends how far the author, when reviewing the previous classifications on the genre of novel, perpetuates the romantic tradition or breaks it, elaborating original concepts for the understanding of modernity in literature.
Weak confinement in the three-state Potts Field Theory
Rutkevich, Sergei
Kink topological excitations are quite common in one-dimensional quantum ferromagnetic systems with the spontaneously broken discrete symmetry. Application of the external magnetic field h induces the long-range attractive force between kinks leading to their confinement. While in the Ising Field Theory the particle sector in the confinement regime contains only the two-kink bound states (''the mesons''), in the three-state Potts Field Theory (PFT) the three-kink bound states (''the baryons'') can exist as well. In the weak confinement regime, which is realized at small external magnetic fields, the meson masses in the PFT can be determined analytically in the leading order in h by means of the solution of a quantum-mechanical problem for two non-relativistic particles interacting with a linear attractive potential, and my means of the WKB method. The masses of lightest baryons in the three-state PFT were calculated by the numerical solution of a three-particle quantum-mechanical problem. The obtained mass spectra for the PFT mesons and baryons were confirmed recently by Lencés and Takács in numerical calculations based on the truncated conformal space approach.
Linearized theory of peridynamic states.
Energy Technology Data Exchange (ETDEWEB)
Silling, Stewart Andrew
2009-04-01
A state-based peridynamic material model describes internal forces acting on a point in terms of the collective deformation of all the material within a neighborhood of the point. In this paper, the response of a state-based peridynamic material is investigated for a small deformation superposed on a large deformation. The appropriate notion of a small deformation restricts the relative displacement between points, but it does not involve the deformation gradient (which would be undefined on a crack). The material properties that govern the linearized material response are expressed in terms of a new quantity called the modulus state. This determines the force in each bond resulting from an incremental deformation of itself or of other bonds. Conditions are derived for a linearized material model to be elastic, objective, and to satisfy balance of angular momentum. If the material is elastic, then the modulus state is obtainable from the second Frechet derivative of the strain energy density function. The equation of equilibrium with a linearized material model is a linear Fredholm integral equation of the second kind. An analogue of Poincare's theorem is proved that applies to the infinite dimensional space of all peridynamic vector states, providing a condition similar to irrotationality in vector calculus.
Linearized theory of peridynamic states.
Energy Technology Data Exchange (ETDEWEB)
Silling, Stewart Andrew
2009-04-01
A state-based peridynamic material model describes internal forces acting on a point in terms of the collective deformation of all the material within a neighborhood of the point. In this paper, the response of a state-based peridynamic material is investigated for a small deformation superposed on a large deformation. The appropriate notion of a small deformation restricts the relative displacement between points, but it does not involve the deformation gradient (which would be undefined on a crack). The material properties that govern the linearized material response are expressed in terms of a new quantity called the modulus state. This determines the force in each bond resulting from an incremental deformation of itself or of other bonds. Conditions are derived for a linearized material model to be elastic, objective, and to satisfy balance of angular momentum. If the material is elastic, then the modulus state is obtainable from the second Frechet derivative of the strain energy density function. The equation of equilibrium with a linearized material model is a linear Fredholm integral equation of the second kind. An analogue of Poincare's theorem is proved that applies to the infinite dimensional space of all peridynamic vector states, providing a condition similar to irrotationality in vector calculus.
A new quantum gas apparatus for ultracold mixtures of K and Cs and KCs ground-state molecules
Gröbner, M.; Weinmann, P.; Meinert, F.; Lauber, K.; Kirilov, E.; Nägerl, H.-C.
2016-10-01
We present a new quantum gas apparatus for ultracold mixtures of K and Cs atoms and ultracold samples of KCs ground-state molecules. We demonstrate the apparatus' capabilities by producing Bose-Einstein condensates of ? and ? in a manner that will eventually allow sequential condensation within one experimental cycle, precise sample overlap and magnetic association of atoms into KCs molecules. The condensates are created independently without relying on sympathetic cooling. Our approach is universal and applicable to other species combinations when the two species show dramatically different behavior in terms of loss mechanisms and post laser cooling temperatures, i.e. species combinations that make parallel generation of quantum degenerate samples challenging. We give an outlook over the next experiments involving e.g. sample mixing, molecule formation and transport into a science chamber for high-resolution spatial imaging of novel quantum-many body phases based on K-Cs.
Directory of Open Access Journals (Sweden)
L. J. Du Plessis
1981-03-01
Full Text Available In this article, which has not been published before, the late Prof. du Plessis lays bare the philosophical roots of the liberal-democratic state, or the legal state, as he preferred to call it. After a recapitulative version of the theory of the legal state, het indicates the origin of this form in Greek philosophy and in Medieval thought. The stress, however, is on the Modem Era, in which he distinuishes two main periods in the development of the theory of the legal state:the jusnaturalistic period and thepositivistic or formal period.He argues that positivism has destroyed the original ideal o f individual freedom in facts by regarding justice as a purely formal matter susceptible to any content. All guarantees for individual freedom which rested on a universal normative system fe ll away. The state defines its own competence and limits itself to legal forms in all its activities. The legal state thus merely becomes the state, any state as determined by fixed rules o f its own making to which it binds itselfin all its functioning. Law sinks to a mere form in which the juristic personality of the state manifests its supremacy, and from this there is only one step to the concept that the state is identical with law, so that any state necessarily is a legal state, and any state action which is formally correct, is legal. The article concludes with a brief representation o f the author’s own political and legal vision.
Filip, Marina R; Hillman, Samuel; Haghighirad, Amir Abbas; Snaith, Henry J; Giustino, Feliciano
2016-07-07
The recent discovery of lead-free halide double perovskites with band gaps in the visible represents an important step forward in the design of environmentally friendly perovskite solar cells. Within this new family of semiconductors, Cs2BiAgCl6 and Cs2BiAgBr6 are stable compounds crystallizing in the elpasolite structure. Following the recent computational discovery and experimental synthesis of these compounds, a detailed investigation of their electronic properties is warranted in order to establish their potential as optoelectronic materials. In this work, we perform many-body perturbation theory calculations and obtain high accuracy band gaps for both compounds. In addition, we report on the synthesis of Cs2BiAgBr6 single crystals, which are stable in ambient conditions. From our complementary theoretical and experimental analysis, we are able to assign the indirect character of the band gaps and obtain both experimental and theoretical band gaps of these novel semiconductors that are in close agreement.
Energy Technology Data Exchange (ETDEWEB)
Kharkovskiy, A. I., E-mail: akharkovskiy@inbox.ru [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland); L.F. Vereshchagin Institute for High Pressure Physics RAS, 142190 Troitsk, Moscow (Russian Federation); Shaldin, Yu. V. [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland); Institute for Crystallography RAS, Lenin' s Avenue 59, 119333 Moscow (Russian Federation); Nizhankovskii, V. I. [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland)
2016-01-07
The direct nonlinear magnetoelectric (ME) effect and the magnetostriction of piezoelectric CsCuCl{sub 3} single crystals were comprehensively studied over a wide temperature range in stationary magnetic fields of up to 14 T. The direct nonlinear ME effect measurements were also performed in pulsed magnetic fields up to 31 T, at liquid helium temperature in the antiferromagnetic (AF) state for the crystallographic direction in which effect has the maximum value. The nonlinear ME effect was quadratic in the paramagnetic state for the whole range of magnetic fields. In the AF state the phase transition between different configurations of spins manifested itself as plateau-like peculiarity on the nonlinear ME effect. The nonlinear ME effect was saturated by the phase transition to the spin-saturated paramagnetic state. Two contributions to the nonlinear ME effects in CsCuCl{sub 3} were extracted from the experimental data: the intrinsic ME effect originated from the magnetoelectric interactions, and the extrinsic one, which resulted from a magnetostriction-induced piezoelectric effect.
Transition-state theory and dynamical corrections
DEFF Research Database (Denmark)
Henriksen, Niels Engholm; Hansen, Flemming Yssing
2002-01-01
. The correction factor due to non-adiabatic dynamics is considered in relation to the non-activated dissociative sticking of N-2 on Fe(111). For this process, conventional transition-state theory gives a sticking probability which is about 10 times too large (at T = 300 K). We estimate that the sticking......We consider conventional transition-state theory, and show how quantum dynamical correction factors can be incorporated in a simple fashion, as a natural extension of the fundamental formulation. Corrections due to tunneling and non-adiabatic dynamics are discussed, with emphasis on the latter...
Thermodynamic Properties from Corresponding States Theory
DEFF Research Database (Denmark)
Mollerup, Jørgen
1980-01-01
—Leland corresponding-states theory. Different fluid approximations for mixtures have been applied to the various corresponding states approaches. The resulting computation methods have been applied to calculate saturation properties of pure fluids and separation factors in binary mixtures for some fluids commonly...... encountered in natural gas and petroleum refining operations. Finally it is shown that the binary interaction parameters depend only on the fluid approximation and not on the specific form of the potential....
Moule, D. C.; Smeyers, Y. G.; Senent, M. L.; Clouthier, D. J.; Karolczak, J.; Judge, R. H.
1991-09-01
Jet-cooled, laser-induced phosphorescence excitation spectra (LIP) of thioacetone (CH3)2CS/(CD3)2CS have been recorded over the region 16 800-18 500 cm-1 using the pyrolysis jet spectroscopic technique. The responsible electronic transition, T1←S0, ã 3A`←X˜ 1A1, results from an n→π* electron promotion and gives rise to a pattern of vibronic bands that were attributed to activity of the methyl torsion and the sulphur out-of-plane wagging modes. The intensities of the torsional and wagging progressions in the excitation spectra were interpreted in terms of a C2v-Cs molecular distortion of the triplet molecule from its singlet ground state equilibrium structure. A complete unrestricted Hartree-Fock (UHF) ab initio molecular orbital (MO) structural optimization of the T1 state predicted that the sulphur was displaced by 27.36° from the molecular plane and the methyl groups were rotated by 10.93° in clockwise-counterclockwise directions. Restricted Hartree-Fock (RHF) calculations were used to generate the V(θ1,θ2) potential surface governing methyl rotation for the S0 state. This was incorporated into a two-dimensional Hamiltonian, symmetrized for the G36 point group and solved variationally for the torsional frequencies. The calculated frequencies of 159.97/118.94 for the ν17(b1) mode of S0 (CH3)2CS/(CD3)2CS were found to agree with the experimental values, 153.2/114.7 cm-1.
Instanton bound states in ABJM theory
Energy Technology Data Exchange (ETDEWEB)
Hatsuda, Yasuyuki [DESY Hamburg (Germany). Theory Group; Tokyo Institute of Technology (Japan). Dept. of Physics; Moriyama, Sanefumi [Nagoya Univ. (Japan). Kobayashi Maskawa Inst. and Graduate School of Mathematics; Okuyama, Kazumi [Shinshu Univ., Matsumoto, Nagano (Japan). Dept. of Physics
2013-06-15
The partition function of the ABJM theory receives non-perturbative corrections due to instanton effects. We study these non-perturbative corrections, including bound states of worldsheet instantons and membrane instantons, in the Fermi-gas approach. We require that the total non-perturbative correction should be always finite for arbitrary Chern-Simons level. This finiteness is realized quite non-trivially because each bound state contribution naively diverges at some levels. The poles of each contribution should be canceled out in total. We use this pole cancellation mechanism to find unknown bound state corrections from known ones. We conjecture a general expression of the bound state contribution. Summing up all the bound state contributions, we find that the effect of bound states is simply incorporated into the worldsheet instanton correction by a redefinition of the chemical potential in the Fermi-gas system. Analytic expressions of the 3- and 4-membrane instanton corrections are also proposed.
Effective Theory of Higgs Sector Vacuum States
Egana-Ugrinovic, Daniel
2015-01-01
The effective field theory description for modifications of Standard Model-like Higgs boson interactions arising from tree-level mixing with heavy Higgs sector vacuum states without conserved quantum numbers is presented. An expansion in terms of effective operator dimension based on powers of the heavy mass scale rather than operator dimension is utilized to systematically organize interactions within the effective theory. Vacuum states arising from electroweak singlet extensions of the Higgs sector yield at leading order only two effective dimension-six operators. One of these uniformly dilutes all the interactions of a single physical Higgs boson as compared with Standard Model expectations, while the combination of the two operators give more general modifications of all remaining interactions with two or more physical Higgs bosons. Vacuum states arising from an additional electroweak doublet yield three types of effective dimension-six operators that modify physical Higgs boson couplings to fermion pairs...
Observation and calculation of the Cs2 2 3Delta(1g) and b 3Pi(0u) states.
Xie, Feng; Li, Dan; Tyree, Luke; Li, Li; Sovkov, Vladimir B; Ivanov, Valery S; Magnier, Sylvie; Marjatta Lyyra, A
2008-05-28
The Cs(2) 2 (3)Delta(1g) and b (3)Pi(0u) states have been observed by infrared-infrared double resonance spectroscopy for the first time. 221 2 (3)Delta(1g)<--A (1)Sigma(u) (+)<--X (1)Sigma(g) (+) double resonance lines have been assigned to transitions into the 2 (3)Delta(1g) v=6-13 vibrational levels. Resolved fluorescence into the b (3)Pi(0u) v(')=0-48 levels has been recorded. Molecular constants and potential energy curves are determined by the global fit of the entire set of the experimental data. Theoretical potential energy curves of the 2 (3)Delta(g) and b (3)Pi(u) states have been determined in the framework of the pseudopotential method and are compared with the experimental results.
Matrix product states for lattice field theories
Energy Technology Data Exchange (ETDEWEB)
Banuls, M.C.; Cirac, J.I. [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics; Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Saito, H. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Tsukuba Univ., Ibaraki (Japan). Graduate School of Pure and Applied Sciences
2013-10-15
The term Tensor Network States (TNS) refers to a number of families of states that represent different ansaetze for the efficient description of the state of a quantum many-body system. Matrix Product States (MPS) are one particular case of TNS, and have become the most precise tool for the numerical study of one dimensional quantum many-body systems, as the basis of the Density Matrix Renormalization Group method. Lattice Gauge Theories (LGT), in their Hamiltonian version, offer a challenging scenario for these techniques. While the dimensions and sizes of the systems amenable to TNS studies are still far from those achievable by 4-dimensional LGT tools, Tensor Networks can be readily used for problems which more standard techniques, such as Markov chain Monte Carlo simulations, cannot easily tackle. Examples of such problems are the presence of a chemical potential or out-of-equilibrium dynamics. We have explored the performance of Matrix Product States in the case of the Schwinger model, as a widely used testbench for lattice techniques. Using finite-size, open boundary MPS, we are able to determine the low energy states of the model in a fully non-perturbativemanner. The precision achieved by the method allows for accurate finite size and continuum limit extrapolations of the ground state energy, but also of the chiral condensate and the mass gaps, thus showing the feasibility of these techniques for gauge theory problems.
Theory of the decision/problem state
Dieterly, D. L.
1980-01-01
A theory of the decision-problem state was introduced and elaborated. Starting with the basic model of a decision-problem condition, an attempt was made to explain how a major decision-problem may consist of subsets of decision-problem conditions composing different condition sequences. In addition, the basic classical decision-tree model was modified to allow for the introduction of a series of characteristics that may be encountered in an analysis of a decision-problem state. The resulting hierarchical model reflects the unique attributes of the decision-problem state. The basic model of a decision-problem condition was used as a base to evolve a more complex model that is more representative of the decision-problem state and may be used to initiate research on decision-problem states.
Directory of Open Access Journals (Sweden)
Hany H Arab
Full Text Available Transcription factor II H (TFIIH is comprised of core TFIIH and Cdk-activating kinase (CAK complexes. Here, we investigated the molecular and cellular manifestation of the TFIIH compositional changes by XPG truncation mutations. We showed that both core TFIIH and CAK are rapidly recruited to damage sites in repair-proficient cells. Chromatin immunoprecipitation against TFIIH and CAK components revealed a physical engagement of CAK in nucleotide excision repair (NER. While XPD recruitment to DNA damage was normal, CAK was not recruited in severe XP-G and XP-G/CS cells, indicating that the associations of CAK and XPD to core TFIIH are differentially affected. A CAK inhibition approach showed that CAK activity is not required for assembling pre-incision machinery in vivo or for removing genomic photolesions. Instead, CAK is involved in Ser5-phosphorylation and UV-induced degradation of RNA polymerase II. The CAK inhibition impaired transcription from undamaged and UV-damaged reporter, and partially decreased transcription of p53-dependent genes. The overall results demonstrated that a XP-G/CS mutations affect the disassembly state of TFIIH resulting in the dissociation of CAK, but not XPD from core TFIIH, and b CAK activity is not essential for global genomic repair but involved in general transcription and damage-induced RNA polymerase II degradation.
Efimov states in Li-Cs mixtures within a minimal model
DEFF Research Database (Denmark)
Zinner, Nikolaj Thomas; Nygaard, N. G.
2015-01-01
We use a minimal zero-range model for describing the bound state spectrum of three-body states consisting of two Cesium and one Lithium atom. Using a broad Feshbach resonance model for the two-body interactions, we show that recent experimental data from the Chin group can be described surprising...... by finite range corrections. We also consider the question of Fermi degeneracy and corresponding Pauli blocking of the Lithium atoms on the Efimov states....
Efimov states in Li-Cs mixtures within a minimal model
DEFF Research Database (Denmark)
Zinner, Nikolaj Thomas; Nygaard, N. G.
2015-01-01
well for particular values of the three-body parameter that governs the short-range behavior of the atomic potentials and is outside the scope of the zero-range model. Studying the spectrum as a function of the three-body parameter suggests that the lowest state seen in experiment could be influenced......We use a minimal zero-range model for describing the bound state spectrum of three-body states consisting of two Cesium and one Lithium atom. Using a broad Feshbach resonance model for the two-body interactions, we show that recent experimental data from the Chin group can be described surprisingly...
Bichromatic state-insensitive trapping of cold 133Cs-87Rb atomic mixtures
Metbulut, M. M.; Renzoni, F.
2015-12-01
We investigate simultaneous state-insensitive trapping of a mixture of two different atomic species, Caesium and Rubidium. The magic wavelengths of the Caesium and Rubidium atoms are different, 935.6 and 789.9 nm respectively, thus single-frequency simultaneous state-insensitive trapping is not possible. We thus identify bichromatic trapping as a viable approach to tune the two magic wavelengths to a common value. Correspondingly, we present several common magic wavelength combinations appropriate for simultaneous state-insensitive trapping of the two atomic species.
Testing Conformal Theory:. 3-STATE Potts
Barkema, G. T.; McCabe, J.; Wydro, T.
2001-04-01
Conformal theory predictions and Monte Carlo measurements of structure constants in 3-state Potts model were reviewed. The results provide a direct confirmation of the quality of conformal theory predictions of universal 3-point amplitudes. The prediction of these type of universal amplitudes sparked much of the original interest in conformal models, but are almost untested outside of the Ising model. Structure constants, C123, are universal amplitudes that define 3-point correlations, i.e., = C123/ |X12|2(Δ1+Δ2-Δ3)·× cyclic perms. To predict the values of these universal numbers, one constructs a 4-point correlation as a sum of products of conformal blocks and then, determines coefficients that weight the sum by demanding that the 4-point correlation satisfy a bootstrap equation. The bootstrap equation imposes consistency of the 4-point correlation with operator product expansions in multiple channels. The 3-state Potts model was chosen, because this model is easy of simulate. But, this Potts model has an added complication, i.e., a discrete Z3 symmetry at criticality. The discrete symmetry had to be implemented to calculate structure constants. Conformal theory predicted that Cσσσ = 1.092 and Cɛσσ* = 0.546. Monte Carlo simulations were performed on 500 × 500 lattices on which sample configurations were generated by the cluster algorithm of Wolff. To obtain the structure constants both 2-point and 3-point correlations were measured. The 2-point correlations fixed non-universal normalizatons. The quality of the Monte-Carlo methods were tested by measuring structure constants of the Ising model-good agreement with known results was found. For 3-state Potts, the simulations found that Cσσσ = 1.116 ± 0.14 and Cɛσσ* = 0.61 ± 0.06. These results provide striking agreement with predictions and a confirmation of conformal field theory.
Efimov States in Li-Cs Mixtures within a Minimal Model
Zinner, N. T.; Nygaard, N. G.
2015-03-01
We use a minimal zero-range model for describing the bound state spectrum of three-body states consisting of two Cesium and one Lithium atom. Using a broad Feshbach resonance model for the two-body interactions, we show that recent experimental data can be described surprisingly well for particular values of the three-body parameter that governs the short-range behavior of the atomic potentials and is outside the scope of the zero-range model. Studying the spectrum as a function of the three-body parameter suggests that the lowest state seen in experiment could be influenced by finite range corrections. We also consider the question of Fermi degeneracy and corresponding Pauli blocking of the Lithium atoms on the Efimov states.
A steady state theory for processive cellulases
DEFF Research Database (Denmark)
Cruys-Bagger, Nicolaj; Olsen, Jens Elmerdahl; Præstgaard, Eigil;
2013-01-01
. This has significant kinetic implications, for example the maximal specific rate (Vmax/E0) for processive cellulases is much lower than the catalytic rate constant (kcat). We discuss how relationships based on this theory may be used in both comparative and mechanistic analyses of cellulases....... remains to be fully developed. In this paper, we suggest a deterministic kinetic model that relies on a processive set of enzyme reactions and a quasi steady-state assumption. It is shown that this approach is practicable in the sense that it leads to mathematically simple expressions for the steady......-state rate, and only requires data from standard assay techniques as experimental input. Specifically, it is shown that the processive reaction rate at steady state may be expressed by a hyperbolic function related to the conventional Michaelis–Menten equation. The main difference is a ‘kinetic processivity...
Topological Field Theory and Matrix Product States
Kapustin, Anton; You, Minyoung
2016-01-01
It is believed that most (perhaps all) gapped phases of matter can be described at long distances by Topological Quantum Field Theory (TQFT). On the other hand, it has been rigorously established that in 1+1d ground states of gapped Hamiltonians can be approximated by Matrix Product States (MPS). We show that the state-sum construction of 2d TQFT naturally leads to MPS in their standard form. In the case of systems with a global symmetry G, this leads to a classification of gapped phases in 1+1d in terms of Morita-equivalence classes of G-equivariant algebras. Non-uniqueness of the MPS representation is traced to the freedom of choosing an algebra in a particular Morita class. In the case of Short-Range Entangled phases, we recover the group cohomology classification of SPT phases.
Matrix product states for gauge field theories.
Buyens, Boye; Haegeman, Jutho; Van Acoleyen, Karel; Verschelde, Henri; Verstraete, Frank
2014-08-29
The matrix product state formalism is used to simulate Hamiltonian lattice gauge theories. To this end, we define matrix product state manifolds which are manifestly gauge invariant. As an application, we study (1+1)-dimensional one flavor quantum electrodynamics, also known as the massive Schwinger model, and are able to determine very accurately the ground-state properties and elementary one-particle excitations in the continuum limit. In particular, a novel particle excitation in the form of a heavy vector boson is uncovered, compatible with the strong coupling expansion in the continuum. We also study full quantum nonequilibrium dynamics by simulating the real-time evolution of the system induced by a quench in the form of a uniform background electric field.
Topological field theory and matrix product states
Kapustin, Anton; Turzillo, Alex; You, Minyoung
2017-08-01
It is believed that most (perhaps all) gapped phases of matter can be described at long distances by topological quantum field theory (TQFT). On the other hand, it has been rigorously established that in 1+1d ground states of gapped Hamiltonians can be approximated by matrix product states (MPS). We show that the state-sum construction of 2d TQFT naturally leads to MPS in their standard form. In the case of systems with a global symmetry G , this leads to a classification of gapped phases in 1+1d in terms of Morita-equivalence classes of G -equivariant algebras. Nonuniqueness of the MPS representation is traced to the freedom of choosing an algebra in a particular Morita class. In the case of short-range entangled phases, we recover the group cohomology classification of SPT phases.
Density functional theory in the solid state.
Hasnip, Philip J; Refson, Keith; Probert, Matt I J; Yates, Jonathan R; Clark, Stewart J; Pickard, Chris J
2014-03-13
Density functional theory (DFT) has been used in many fields of the physical sciences, but none so successfully as in the solid state. From its origins in condensed matter physics, it has expanded into materials science, high-pressure physics and mineralogy, solid-state chemistry and more, powering entire computational subdisciplines. Modern DFT simulation codes can calculate a vast range of structural, chemical, optical, spectroscopic, elastic, vibrational and thermodynamic phenomena. The ability to predict structure-property relationships has revolutionized experimental fields, such as vibrational and solid-state NMR spectroscopy, where it is the primary method to analyse and interpret experimental spectra. In semiconductor physics, great progress has been made in the electronic structure of bulk and defect states despite the severe challenges presented by the description of excited states. Studies are no longer restricted to known crystallographic structures. DFT is increasingly used as an exploratory tool for materials discovery and computational experiments, culminating in ex nihilo crystal structure prediction, which addresses the long-standing difficult problem of how to predict crystal structure polymorphs from nothing but a specified chemical composition. We present an overview of the capabilities of solid-state DFT simulations in all of these topics, illustrated with recent examples using the CASTEP computer program.
Energy Technology Data Exchange (ETDEWEB)
Majhi, S.K., E-mail: tpskm@iacs.res.in [Indian Association for the Cultivation of Science, Kolkata (India); Mukhopadhyay, A., E-mail: aditi_mukhopadhyay@baylor.edu [Baylor University, Waco, TX (United States); Ward, B.F.L., E-mail: bfl_ward@baylor.edu [Baylor University, Waco, TX (United States); Yost, S.A., E-mail: scott.yost@citadel.edu [The Citadel, Charleston, SC (United States)
2014-11-15
We present a phenomenological study of the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. We discuss recent results as they relate to the interplay of the attendant IR-improved DGLAP-CS theory of one of us and the precision of exact NLO matrix-element matched parton shower MC’s in the Herwig6.5 environment as determined by comparison to recent LHC experimental observations on single heavy gauge boson production and decay. The level of agreement between the new theory and the data continues to be a reason for optimism. In the spirit of completeness, we discuss as well other approaches to the same theoretical predictions that we make here from the standpoint of physical precision with an eye toward the (sub-)1% QCD⊗EW total theoretical precision regime for LHC physics. - Highlights: • Using LHC data, we show that IR-improved DGLAP-CS kernels with exact NLO Shower/ME matching improves MC precision. • We discuss other possible approaches in comparison with ours. • We propose experimental tests to discriminate between competing approaches.
Fuchs, Christian
2016-01-01
"This book contributes to the foundations of a critical theory of communication as shaped by the forces of digital capitalism. One of the world's leading theorists of digital media Professor Christian Fuchs explores how the thought of some of the Frankfurt School’s key thinkers can be deployed for critically understanding media in the age of the Internet. Five essays that form the heart of this book review aspects of the works of Georg Lukács, Theodor W. Adorno, Herbert Marcuse, Axel Honneth ...
Matrix Product States for Lattice Field Theories
Bañuls, Mari Carmen; Cirac, J Ignacio; Jansen, Karl; Saito, Hana
2013-01-01
The term Tensor Network States (TNS) refers to a number of families of states that represent different ans\\"atze for the efficient description of the state of a quantum many-body system. Matrix Product States (MPS) are one particular case of TNS, and have become the most precise tool for the numerical study of one dimensional quantum many-body systems, as the basis of the Density Matrix Renormalization Group method. Lattice Gauge Theories (LGT), in their Hamiltonian version, offer a challenging scenario for these techniques. While the dimensions and sizes of the systems amenable to TNS studies are still far from those achievable by 4-dimensional LGT tools, Tensor Networks can be readily used for problems which more standard techniques, such as Markov chain Monte Carlo simulations, cannot easily tackle. Examples of such problems are the presence of a chemical potential or out-of-equilibrium dynamics. We have explored the performance of Matrix Product States in the case of the Schwinger model, as a widely used ...
Half metallic ferromagnetism in alkali metal nitrides MN (M = Rb, Cs): A first principles study
Energy Technology Data Exchange (ETDEWEB)
Murugan, A., E-mail: rrpalanichamy@gmail.com; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com; Santhosh, M., E-mail: rrpalanichamy@gmail.com; Sudhapriyanga, G., E-mail: rrpalanichamy@gmail.com [Department of Physics, N.M.S.S.V.N College, Madurai, Tamilnadu-625019 (India); Kanagaprabha, S. [Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu-628003 (India)
2014-04-24
The structural, electronic and elastic properties of two alkali metal nitrides (MN: M= Rb, Cs) are investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At ambient pressure the two nitrides are stable in ferromagnetic state with CsCl structure. The calculated lattice parameters are in good agreement with the available results. The electronic structure reveals that these materials are half metallic in nature. A pressure-induced structural phase transition from CsCl to ZB phase is observed in RbN and CsN.
von Rohr, Fabian; Krzton-Maziopa, Anna; Pomjakushin, Vladimir; Grundmann, Henrik; Guguchia, Zurab; Schnick, Wolfgang; Schilling, Andreas
2016-07-01
We report on the magnetic properties of CsCo2Se2 with ThCr2Si2 structure, which we have characterized through a series of magnetization and neutron diffraction measurements. We find that CsCo2Se2 undergoes a phase transition to an antiferromagnetically ordered state with a Néel temperature of {{T}\\text{N}}≈ 66 K. The nearest neighbour interactions are ferromagnetic as observed by the positive Curie-Weiss temperature of \\Theta≈ 51.0 K. We find that the magnetic structure of CsCo2Se2 consists of ferromagnetic sheets, which are stacked antiferromagnetically along the tetragonal c-axis, generally referred to as A-type antiferromagnetic order. The observed magnitude of the ordered magnetic moment at T = 1.5 K is found to be only 0.20(1){μ\\text{Bohr}} / Co. Already in comparably small magnetic fields of {μ0}H{{}\\text{MM}}(5~K)≈ 0.3 T, we observe a metamagnetic transition that can be attributed to spin-rearrangements of CsCo2Se2, with the moments fully ferromagnetically saturated in a magnetic field of {μ0}{{H}\\text{FM}}(5~K)≈ 6.4 T. We discuss the entire experimentally deduced magnetic phase diagram for CsCo2Se2 with respect to its unconventionally weak magnetic coupling. Our study characterizes CsCo2Se2, which is chemically and electronically posed closely to the A x Fe2-y Se2 superconductors, as a host of versatile magnetic interactions.
Energy Technology Data Exchange (ETDEWEB)
Je, Uikyu; Cho, Hyosung; Lee, Minsik; Oh, Jieun; Park, Yeonok; Hong, Daeki; Park, Cheulkyu; Cho, Heemoon; Choi, Sungil; Koo, Yangseo [Yonsei University, Wonju (Korea, Republic of)
2014-06-15
Recently, reducing radiation doses has become an issue of critical importance in the broader radiological community. As a possible technical approach, especially, in dental cone-beam computed tomography (CBCT), reconstruction from limited-angle view data (< 360 .deg. ) would enable fast scanning with reduced doses to the patient. In this study, we investigated and implemented an efficient reconstruction algorithm based on compressed-sensing (CS) theory for the scan geometry and performed systematic simulation works to investigate the image characteristics. We also performed experimental works by applying the algorithm to a commercially-available dental CBCT system to demonstrate its effectiveness for image reconstruction in incomplete data problems. We successfully reconstructed CBCT images with incomplete projections acquired at selected scan angles of 120, 150, 180, and 200 .deg. with a fixed angle step of 1.2 .deg. and evaluated the reconstruction quality quantitatively. Both simulation and experimental demonstrations of the CS-based reconstruction from limited-angle view data show that the algorithm can be applied directly to current dental CBCT systems for reducing the imaging doses and further improving the image quality.
Directory of Open Access Journals (Sweden)
Patrik Diogo Antunes
2010-06-01
in the last decades. In Northeastern Brazil no such sites have been evaluated yet. Three areas with flat topography, native vegetation and undisturbed soil were selected in of Goiana, Araripina and Sertânia counties, state of Pernambuco. Four points in each area were marked at a distance of 20 to 50 m away from each other and soil samples were collected in 3 cm depth intervals, down to 30 cm. The 137Cs activities were determined using gamma spectrometry with a hyperpure germanium detector. Average contents of 137Cs (Bq m-2 were 71.6 ± 6.3 in Goiana, 64.0 ± 13.8 in Araripina and 95.5 ± 9.8 in Sertânia. Values in this range have been reported in Paraíba and Bahia, and higher ones in the Southeastern region, confirming the reduction of stocks in areas closer to the equator. The highest activities occurred in the surface layers, ranging from 0.5 to 1.6 Bq kg-1, and decreased linearly with depth until the detection limits: 18 cm in Araripina, 15 cm in Goiana, and 9 cm in Sertânia. In Goiana, the activity was highest (2.06 ± 1.0 Bq kg-1 in an organic horizon above a inorganic horizon. The high activities and stock and lower depth in Sertânia could be explained by the predominance of 2:1 clay minerals versus 1:1 clay minerals in the other areas. 137Cs activities were positively correlated with water and KCl pH values and negatively correlated with Al concentrations. The results confirm that, in the reference areas, 137Cs activities are highest in the surface layers, decreasing regularly down the soil profile.
Local State and Sector Theory in Local Quantum Physics
Ojima, Izumi; Okamura, Kazuya; Saigo, Hayato
2016-06-01
We define a new concept of local states in the framework of algebraic quantum field theory (AQFT). Local states are a natural generalization of states and give a clear vision of localization in the context of QFT. In terms of them, we can find a condition from which follows automatically the famous DHR selection criterion in DHR-DR theory. As a result, we can understand the condition as consequences of physically natural state preparations in vacuum backgrounds. Furthermore, a theory of orthogonal decomposition of completely positive (CP) maps is developed. It unifies a theory of orthogonal decomposition of states and order structure theory of CP maps. Using it, localized version of sectors is formulated, which gives sector theory for local states with respect to general reference representations.
基于4Cs营销理论的会议营销创新%Conference Marketing Innovation Based on 4Cs Marketing Theory
Institute of Scientific and Technical Information of China (English)
王馨; 樊宏社
2011-01-01
会议营销是以保健品为代表的众多产品所选择的一种新营销模式.本文以4Cs营销理论为基础,分析了会议营销在实践中所具有的优势和存在的问题,有针对性地提出了会议营销创新的方法.%Conference marketing is a new marketing model for many products particularly health products. Based on 4Cs marketing theory, this paper analyzes the advantage and crisis of the conference marketing, advances the conference marketing innovation measures to the question in the end.
Modified Transition State Theory for Evaporation and Condensation
Institute of Scientific and Technical Information of China (English)
王遵敬; 陈民; 过增元
2002-01-01
A modification of the transition state theory for evaporation and condensation is presented by analysing the kinetic characteristics of liquid-vapour interphase transport. In the modified transition state theory, the moving orientation of molecules is introduced into the calculation of the free volume of the activated complex. The condensation coefficients of argon at different temperatures are calculated with the modified transition state theory. The results agree well with those from molecular dynamics simulations.
Precision Study of Positronium: Testing Bound State QED Theory
Karshenboim, Savely G.
2003-01-01
As an unstable light pure leptonic system, positronium is a very specific probe atom to test bound state QED. In contrast to ordinary QED for free leptons, the bound state QED theory is not so well understood and bound state approaches deserve highly accurate tests. We present a brief overview of precision studies of positronium paying special attention to uncertainties of theory as well as comparison of theory and experiment. We also consider in detail advantages and disadvantages of positro...
Shang, Jin; Li, Gang; Singh, Ranjeet; Xiao, Penny; Danaci, David; Liu, Jefferson Z.; Webley, Paul A.
2014-02-01
The crucial role of dispersion force in correctly describing the adsorption of some typical small-size gas molecules (e.g., CO2, N2, and CH4) in ion-exchanged chabazites has been investigated at different levels of theory, including the standard density functional theory calculation using the Perdew, Burke, and Ernzerhof (PBE) exchange-correlation functional and van der Waals density functional theory (vdWDFT) calculations using different exchange-correlation models - vdW_DF2, optB86b, optB88, and optPBE. Our results show that the usage of different vdWDFT functionals does not significantly change the adsorption configuration or the profile of static charge rearrangement of the gas-chabazite complexes, in comparison with the results obtained using the PBE. The calculated values of adsorption enthalpy using different functionals are compared with our experimental results. We conclude that the incorporation of dispersion interaction is imperative to correctly predict the trend of adsorption enthalpy values, in terms of different gas molecules and Cs+ cation densities in the adsorbents, even though the absolute values of adsorption enthalpy are overestimated by approximate 10 kJ/mol compared with experiments.
Mukhopadhyay, A; Yost, S A
2013-01-01
We present a phenomenological study of the current status of the application of our approach of {\\it exact} amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. We discuss recent results as they relate to the interplay of the attendant IR-Improved DGLAP-CS theory of one of us and the precision of exact NLO matrix-element matched parton shower MC's in the Herwig6.5 environment as determined by comparison to recent LHC experimental observations on single heavy gauge boson production and decay. The level of agreement between the new theory and the data continues to be a reason for optimism. In the spirit of completeness, we discuss as well other approaches to the same theoretical predictions that we make here from the standpoint of physical precision with an eye toward the (sub-)1% QCD \\otimes EW total theoretical precision regime for LHC physics.
Goto, Masato; Ueda, Hiroaki; Michioka, Chishiro; Matsuo, Akira; Kindo, Koichi; Yoshimura, Kazuyoshi
2016-09-01
We have investigated the crystal structure and magnetic properties of three kagome lattice antiferromagnets, Rb2Na Ti3F12 , Cs2Na Ti3F12 , and Cs2K Ti3F12 , using single crystals. These compounds represent a S =1 /2 kagome system consisting of magnetic Ti3 + ions, which is expected to have negligibly small Dzyaloshinsky-Moriya interaction. The structural analyses revealed that each of the three compounds has a slightly distorted kagome lattice. The distortion of the kagome lattice becomes small as the ionic radii of constituent alkali metals increase. All three compounds have nearly the same Weiss temperature of -45 K, and the ground states are disordered and strongly depend on the distortion. The ground states of Rb2Na Ti3F12 , Cs2Na Ti3F12 , and Cs2K Ti3F12 are found to be a two-component state including approximately 1/3 nearly free spins, a gapless disordered state, and a gapped disordered state, respectively. Our experimental results suggest that the ground state of the ideal S =1 /2 Heisenberg kagome lattice antiferromagnet is gapped. In addition, the magnetization curves of Cs2Na Ti3F12 and Cs2K Ti3F12 show anomalies at approximately 1/3 of the full magnetic moment of Ti3 +, which are a notable observation of signs of the theoretically proposed 1/3 magnetization plateau in S =1 /2 kagome antiferromagnets.
A Quantum Version of Wigner's Transition State Theory
Schubert, R.; Waalkens, H.; Wiggins, S.
2009-01-01
A quantum version of a recent realization of Wigner's transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in (h) over bar. This leads to an explicit algor
A Quantum Version of Wigner’s Transition State Theory
Schubert, R.; Waalkens, H.; Wiggins, S.
2009-01-01
A quantum version of a recent realization of Wigner’s transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in ħ. This leads to an explicit algorithm to com
Resource Theory of Quantum States Out of Thermal Equilibrium
Brandão, Fernando G. S. L.; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M.; Spekkens, Robert W.
2013-01-01
The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here, we return to the basic questions of thermodynamics using the formalism of resource t...
The Resource Theory of Quantum States Out of Thermal Equilibrium
Brandão, Fernando G. S. L.; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M.; Spekkens, Robert W.
2011-01-01
The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here we return to the basic questions of thermodynamics using the formalism of resource th...
High resolution photoassociation spectra of an ultracold Cs2 long-range 0u+ (6S1/2 + 6P1/2) state
Chen, Peng; Li, Yu-Qing; Zhang, Yi-Chi; Wu, Ji-Zhou; Ma, Jie; Xiao, Lian-Tuan; Jia, Suo-Tang
2013-09-01
In this paper, ultracold cesium molecules are formed through photoassociation technology, which is carried out in a magneto-optical trap. High resolution photoassociaion spectra with the rotational progressions up to J = 7 are obtained. Three rovibrational levels of the long-range 0u+ state of Cs2 below the (6S1/2 + 6P1/2) dissociation limit are specifically investigated. By fitting their binding energy intervals to the non-rigid rotational model, the rotational constant of the long-range 0u+ state is determined. A proportional dependence of the value of the rotational constant on the vibrational quantum number is demonstrated.
Temperature and Pressure Dependence of the Reaction S plus CS (+M) -> CS2 (+M)
DEFF Research Database (Denmark)
Glarborg, Peter; Marshall, Paul; Troe, Juergen
2015-01-01
Experimental data for the unimolecular decomposition of CS2 from the literature are analyzed by unimolecular rate theory with the goal of obtaining rate constants for the reverse reaction S + CS (+M) -> CS2 (+M) over wide temperature and pressure ranges. The results constitute an important input...
Directory of Open Access Journals (Sweden)
Guadilla V.
2017-01-01
Full Text Available In this work we report on total absorption γ-ray spectroscopy measurements of the β decay of fission products that are important contributors to the antineutrino spectrum. The experiment was performed at IGISOL as a part of a campaign of measurements with the new DTAS spectrometer. Preliminary results of the analysis of the β decay of 100Nb,100mNb and 140Cs are presented.
Is a Marxist Theory of State Possible?
G. van Benthem van den Bergh (Godfried)
1977-01-01
textabstractNation-states have become, for better or for worse, the basic units into which humanity in a more and more interdependent world is divided. Notwithstanding what the predominant mode of production in the states of the present world may be, states all over the world are organised in a rema
A state-dependent noncontextuality inequality in algebraic quantum theory
Kitajima, Yuichiro
2017-08-01
The noncontextuality condition states that a value of any observable is independent of which other compatible observable is measured jointly with it. Klyachko, Can, Binicioğlu, and Shumovsky have introduced an inequality which holds if there is a noncontextual hidden variable theory. It is called KCBS inequality, which is state-dependent. Its violation shows a contradiction between predictions of quantum theory and noncontextual hidden variable theories. In the present paper, it is shown that there is a state which does not violate KCBS inequality in the case of quantum mechanics of finite degrees of freedom, and that any normal state violates it in the case of algebraic quantum field theory. It is a difference between quantum mechanics of finite degrees of freedom and algebraic quantum field theory from a point of view of KCBS inequality.
A theory of states and traits--revised.
Steyer, Rolf; Mayer, Axel; Geiser, Christian; Cole, David A
2015-01-01
We present a revision of latent state-trait (LST-R) theory with new definitions of states and traits. This theory applies whenever we study the consistency of behavior, its variability, and its change over time. States and traits are defined in terms of probability theory. This allows for a seamless transition from theory to statistical modeling of empirical data. LST-R theory not only gives insights into the nature of latent variables but it also takes into account four fundamental facts: Observations are fallible, they never happen in a situational vacuum, they are always made using a specific method of observations, and there is no person without a past. Although the first fact necessitates considering measurement error, the second fact requires allowances for situational fluctuations. The third fact implies that, in the first place, states and traits are method specific. Furthermore, compared to the previous version of LST theory (see, e.g., Steyer et al. 1992 , 1999 ), our revision is based on the notion of a person-at-time-t. The new definitions in LST-R theory have far-reaching implications that not only concern the properties of states, traits, and the associated concepts of measurement errors and state residuals, but also are related to the analysis of states and traits in longitudinal observational and intervention studies.
Quantum theory of the solid state part B
Callaway, Joseph
1974-01-01
Quantum Theory of the Solid State, Part B describes the concepts and methods of the central problems of the quantum theory of solids. This book discusses the developed machinery applied to impurities, disordered systems, effects of external fields, transport phenomena, and superconductivity. The representation theory, low field diamagnetic susceptibility, electron-phonon interaction, and Landau theory of fermi liquids are also deliberated. This text concludes with an introduction to many-body theory and some applications. This publication is a suitable textbook for students who have completed
4C营销理论在门诊护理管理中的应用%Application of marketing theory of 4Cs in outpatient nursing management
Institute of Scientific and Technical Information of China (English)
金逸; 郭建林
2012-01-01
Objective To study the outpatients need for nursing service using the marketing theory of 4Cs so as to improve nursing service process and largely motivate nurse work passion and quality enhancement.Methods We used marketing theory of 4Cs and carried out nurses management from the perspective of service marketing.Then,the nurses' technical operation,professional knowledge,doctors' satisfaction for nursing were compared before and after implemented the 4Cs management.Results Before and after the application of 4C marketing theory,indexes were changed,nurses' technical level and professional knowledge examination pass rate was improved from 88.89％ to 100％,and the difference was statistically significant ( x2 =4.04,P ＜ 0.05) ;doctors' satisfaction for nursing was improved from 68.8％ to 86.4％,the difference was statistically significant (x2 =9.81,P ＜0.05 ) ; patients' satisfaction on nurses' job was improved from 79.7％ to 95％,and the difference was statistically significant (x2 =9.816,P ＜0.05 ).Patients for nursing care the complaint rate decreased from 3％ to 0％,before and after the application of 4C marketing theory.Conclusions Marketing theory of 4Cs applying in outpatient nursing management play a important role in improving nurses' motivation and nursing ability,improving the nurse-doctor and nurse-patient relationship.It can promote to provide high quality and humanization of outpatient nursing services for patients.%目的 通过应用4C营销理论,切实了解门诊患者的护理服务需求,改进门诊服务流程,提高护士的工作热情及服务质量.方法 采用4C营销理论的理念,从服务营销的角度对门诊护士进行管理比较应用前后,护士技术操作及专业知识的变化及患者和医生对门诊护理的满意度.结果 应用4C营销理论前后的各项指标有明显变化,护士技术水平和专业知识的考核合格率应用前为88.89％,应用后上升至100％,两组比
Reanalysis of the photoassociation spectrum of 133Cs2 (6P3/2) 1g state
Institute of Scientific and Technical Information of China (English)
Ma Jie; Li Yu-Qing; Wu Ji-Zhou; Fan Qun-Chao; Feng Hao; Sun Wei-Guo; Xiao Lian-Tuan
2013-01-01
Reanalysis of the photoassociation spectrum of the weakly binding (6S1/2 + 6P3/2) 1 g 133Cs2 levels,reported in the previous study [J.Mol.Spectro.255 (2009) 106],is performed by using a Lu-Fano graph coupled to the improved LeRoyBernstein formula including two additional modified terms.A more accurate coefficient (c3) is obtained for the leading long-range potential (-c3/R3) of a diatomic molecule.
de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper; Gregersen, Niels
2015-12-15
We present and validate a semianalytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities, a nontrivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.
Balouchestani, Mohammadreza; Krishnan, Sridhar
2014-01-01
Long-term recording of Electrocardiogram (ECG) signals plays an important role in health care systems for diagnostic and treatment purposes of heart diseases. Clustering and classification of collecting data are essential parts for detecting concealed information of P-QRS-T waves in the long-term ECG recording. Currently used algorithms do have their share of drawbacks: 1) clustering and classification cannot be done in real time; 2) they suffer from huge energy consumption and load of sampling. These drawbacks motivated us in developing novel optimized clustering algorithm which could easily scan large ECG datasets for establishing low power long-term ECG recording. In this paper, we present an advanced K-means clustering algorithm based on Compressed Sensing (CS) theory as a random sampling procedure. Then, two dimensionality reduction methods: Principal Component Analysis (PCA) and Linear Correlation Coefficient (LCC) followed by sorting the data using the K-Nearest Neighbours (K-NN) and Probabilistic Neural Network (PNN) classifiers are applied to the proposed algorithm. We show our algorithm based on PCA features in combination with K-NN classifier shows better performance than other methods. The proposed algorithm outperforms existing algorithms by increasing 11% classification accuracy. In addition, the proposed algorithm illustrates classification accuracy for K-NN and PNN classifiers, and a Receiver Operating Characteristics (ROC) area of 99.98%, 99.83%, and 99.75% respectively.
Solid State Physics Introduction to the Theory
Patterson, James D
2007-01-01
Learning Solid State Physics involves a certain degree of maturity, since it involves tying together diverse concepts from many areas of physics. The objective is to understand, in a basic way, how solid materials behave. To do this one needs both a good physical and mathematical background. One definition of Solid State Physics is it is the study of the physical (e.g. the electrical, dielectric, magnetic, elastic, and thermal) properties of solids in terms of basic physical laws. In one sense, Solid State Physics is more like chemistry than some other branches of physics because it focuses on common properties of large classes of materials. It is typical that Solid State Physics emphasizes how physics properties link to electronic structure. We have retained the term Solid State Physics, even though Condensed Matter Physics is more commonly used. Condensed Matter Physics includes liquids and non-crystalline solids such as glass, which we shall not discuss in detail. Modern Solid State Physics came of age in ...
Liberalism and capabilities: Theories of justice and the neutral state
P.B. Lehning (Percy)
1990-01-01
textabstractModern liberal theories share the idea that the state and its laws should remain neutral with respect to the varying conceptions of the good life held by individuals. This article discusses the way in which this notion of neutrality is defined and justified. Rawls's theory of justice is
The Kodama state for topological quantum field theory beyond instantons
Cartas-Fuentevilla, R
2005-01-01
Constructing a symplectic structure that preserves the ordinary symmetries and the topological invariance for topological Yang-Mills theory, it is shown that the Kodama (Chern-Simons) state traditionally associated with a topological phase of unbroken diffeomorphism invariance for instantons, exists actually for the complete topological sector of the theory. The case of gravity is briefly discussed.
Liberalism and capabilities: Theories of justice and the neutral state
P.B. Lehning (Percy)
1990-01-01
textabstractModern liberal theories share the idea that the state and its laws should remain neutral with respect to the varying conceptions of the good life held by individuals. This article discusses the way in which this notion of neutrality is defined and justified. Rawls's theory of justice is
Towards a Physical Theory of Subjective Mental States
Lee, Sean
2007-01-01
Any complete theory of physical reality must allow for the ubiquitous phenomenon of subjective experience at some level, or risk being conceptually incoherent. However, as long as the ontological status of subjectivity itself remains unresolved, the topic will be seen as more within the purview of philosophy than of physics. Towards a resolution of this issue within empirically motivated physical theory, this article introduces an operational definition that ultilizes the general consensus that subjective mental states, whatever else is controversial about them, at least correlate in some way to physical states. It is shown here that implementing this underappreciated assumption within the framework of a physical theory in fact leads to wide-ranging consequences. In particular, a correlation requires there exist a well-defined mapping from a space of subjective mental states onto a space of information-bearing elements of some physical theory. Given the peculiar nature of subjective states as inherently priva...
Functional approach to coherent states in non commutative theories
Lubo, M
2003-01-01
In many high dimensional noncommutative theories, no state saturates simultaneously all the non trivial Heisenberg uncertainty relations. This differs from the usual theory where the squeezed states possess this property. The important role played by these states when recovering classical mechanics as a limit of quantum theory makes necessary the investigation of the possible generalizations in the noncommutative context. We propose an extension based on a variational principle. The action considered is the sum of the squares of the terms associated to the non trivial Heisenberg uncertainty relations. We first verify that our proposal works in the usual theory: we find the known gaussian functions and, besides them, other states which can be expressed as products of gaussians with specific hypergeometrics. We illustrate our construction in three models defined on a four dimensional phase space: two models endowed with a minimal length uncertainty and the popular case in which the commutators of the positions ...
Transition state theory and the dynamics of hard disks.
Barnett-Jones, M; Dickinson, P A; Godfrey, M J; Grundy, T; Moore, M A
2013-11-01
The dynamics of two- and five-disk systems confined in a square has been studied using molecular dynamics simulations and compared with the predictions of transition state theory. We determine the partition functions Z and Z(‡) of transition state theory using a procedure first used by Salsburg and Wood for the pressure. Our simulations show this procedure and transition state theory are in excellent agreement with the simulations. A generalization of the transition state theory to the case of a large number of disks N is made and shown to be in full agreement with simulations of disks moving in a narrow channel. The same procedure for hard spheres in three dimensions leads to the Vogel-Fulcher-Tammann formula for their alpha relaxation time.
Quantum theory of the solid state
Callaway, Joseph
1991-01-01
This new edition presents a comprehensive, up-to-date survey of the concepts and methods in contemporary condensed matter physics, emphasizing topics that can be treated by quantum mechanical methods. The book features tutorial discussions of a number of current research topics.Also included are updated treatments of topics that have developed significantly within the past several years, such as superconductivity, magnetic impurities in metals, methods for electronic structure calculations, magnetic ordering in insulators and metals, and linear response theory. Advanced level graduate students
Full Quantum Theory of Transient-State Electromagnetically Induced Transparency
Institute of Scientific and Technical Information of China (English)
KUANGLe-Man; ZENGAi-Hua; KUANGZhen-Hua
2004-01-01
We develop a full quantum theory of transient-state electromagnetically induced transparency (EIT) in the vapor of three-level A-type atoms interacting with probe and coupling lasers. As applications of the full quantum theory, we show that transient-state EIT medium exhibits normal dispersion and find that group velocities of both coupling and probe lasers are greatly reduced. It is shown that the group velocity of the probe laser in the transient-state EIT case is equal to that in the adiabatic EIT case and that the coupling laser group velocity in the transient-state EIT is generally less than that in the adiabatic EIT.
Full Quantum Theory of Transient-State Electromagnetically Induced Transparency
Institute of Scientific and Technical Information of China (English)
KUANG Le-Man; ZENG Ai-Hua; KUANG Zhen-Hua
2004-01-01
We develop a full quantum theory of transient-state electromagnetically induced transparency (EIT) in thevapor of three-level A-type atoms interacting with probe and coupling lasers. As applications of the full quantum theory,we show that transient-state EIT medium exhibits normal dispersion and find that group velocities of both coupling andprobe lasers are greatly reduced. It is shown that the group velocity of the probe laser in the transient-state EIT case isequal to that in the adiabatic EIT case and that the coupling laser group velocity in the transient-state EIT is generallyless than that in the adiabatic EIT.
Spin Topological Field Theory and Fermionic Matrix Product States
Kapustin, Anton; You, Minyoung
2016-01-01
We study state-sum constructions of G-equivariant spin-TQFTs and their relationship to Matrix Product States. We show that in the Neveu-Schwarz, Ramond, and twisted sectors, the states of the theory are generalized Matrix Product States. We apply our results to revisit the classification of fermionic Short-Range-Entangled phases with a unitary symmetry G. Interesting subtleties appear when the total symmetry group is a nontrivial extension of G by fermion parity.
Searching for pathways involving dressed states in optimal control theory.
von den Hoff, Philipp; Kowalewski, Markus; de Vivie-Riedle, Regina
2011-01-01
Selective population of dressed states has been proposed as an alternative control pathway in molecular reaction dynamics [Wollenhaupt et al., J. Photochem. Photobiol. A: Chem., 2006, 180, 248]. In this article we investigate if, and under which conditions, this strong field pathway is included in the search space of optimal control theory. For our calculations we used the proposed example of the potassium dimer, in which the different target states can be reached via dressed states by resonant transition. Especially, we investigate whether the optimization algorithm is able to find the route involving the dressed states although the target state lies out of resonance in the bare state picture.
Exact ensemble density-functional theory for excited states
Yang, Zeng-hui; Pribram-Jones, Aurora; Burke, Kieron; Needs, Richard J; Ullrich, Carsten A
2014-01-01
We construct exact Kohn-Sham potentials for the ensemble density-functional theory (EDFT) of excited states from the ground and excited states of helium. The exchange-correlation potential is compared with current approximations, which miss prominent features. The ensemble derivative discontinuity is tested, and the virial theorem is proven and illustrated.
Quasi-freestanding graphene on Ni(111) by Cs intercalation
Alattas, M.
2016-05-26
A possible approach to achieve quasi-freestanding graphene on a substrate for technological purpose is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) therefore is investigated using density functional theory, incorporating van der Waals corrections. It is known that direct contact between graphene and Ni(111) perturbs the Dirac states. We find that Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which agrees with experiments, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore decouples the graphene sheet from the substrate except for a charge transfer. On the other hand, the spin polarization of Ni(111) does not extend through the intercalated atoms to the graphene sheet, for which we find virtually spin-degeneracy.
Quasi-freestanding graphene on Ni(111) by Cs intercalation
Alattas, Maha
2017-01-08
It is of technological interest to achieve quasi-freestanding graphene on a substrate. A possible approach is the intercalation of alkali metal atoms. Cs intercalation between graphene and Ni(111) is investigated using density functional theory, incorporating van der Waals corrections. It is known that direct contact between graphene and Ni(111) perturbs the Dirac states. Cs intercalation restores the linear dispersion characteristic of Dirac fermions, which is in agreement with experiments1, but the Dirac cone is shifted to lower energy, i.e., the graphene sheet is n-doped. Cs intercalation therefore effectively decouples the graphene sheet from the substrate except for a charge transfer. On the other hand, the spin polarization of Ni(111) does not extend through the intercalated atoms to the graphene sheet, for which we find virtually spin-degeneracy.
DEFF Research Database (Denmark)
de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper
2015-01-01
We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained......, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non...
The structure of states and maps in quantum theory
Indian Academy of Sciences (India)
Sudhavathani Simon; S P Rajagopalan; R Simon
2009-09-01
The structure of statistical state spaces in the classical and quantum theories are compared in an interesting and novel manner. Quantum state spaces and maps on them have rich convex structures arising from the superposition principle and consequent entanglement. Communication channels (physical processes) in the quantum scheme of things are in one-to-one correspondence with completely positive maps. Positive maps which are not completely positive do not correspond to physical processes. Nevertheless they prove to be invaluable mathematical tools in establishing or witnessing entanglement of mixed states. We consider some of the recent developments in our understanding of the convex structure of states and maps in quantum theory, particularly in the context of quantum information theory.
Local Thermal Equilibrium States in Relativistic Quantum Field Theory
Gransee, Michael
2016-01-01
It is well-known that thermal equilibrium states in quantum statistical mechanics and quantum field theory can be described in a mathematically rigorous manner by means of the so-called Kubo-Martin-Schwinger (KMS) condition, which is based on certain analyticity and periodicity properties of correlation functions. On the other hand, the characterization of non-equilibrium states which only locally have thermal properties still constitutes a challenge in quantum field theory. We discuss a recent proposal for characterization of such states by a generalized KMS condition. The connection of this proposal to a proposal by D. Buchholz, I. Ojima and H.-J. Roos for characterizing local thermal equilibrium states in quantum field theory is discussed.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Jian; Hrovat, David A.; Sun, Zhenrong; Bao, Xiaoguang; Borden, Weston Thatcher; Wang, Xue-Bin
2013-08-22
Cyclobutane-1,2,3,4-tetrathione, (CS)4, has recently been calculated to have a singlet ground state, 1A1g, in which the highest b2g MO is doubly occupied and the lowest a2u MO is empty. Thus, (CS)4 is predicted to have a different ground state than its lighter congener, (CO)4, which has a triplet ground state, 3B1u, in which these two MOs are each singly occupied. Here we report the results of a negative ion photoelectron spectroscopy (NIPES) study of the radical anion (CS)4∙-, designed to test the prediction that (CS)4 has a singlet ground state. The NIPE spectrum reveals that (CS)4 does, indeed, have a singlet ground state with electron affinity (EA) = 3.75 eV. The lowest triplet state is found to lie 0.31 eV higher in energy than the ground state, and the open-shell singlet is 0.14 eV higher in energy than the triplet state. Calculations at the (U)CCSD(T)/aug-cc-pVTZ//(U)B3LYP/6-311+G(2df) level support the spectral assignments, giving EA = 3.71 eV, EST = 0.44 eV. These calculated values are, respectively, 0.04 eV (0.9 kcal/mol) smaller, and 0.13 eV (3.0 kcal/mol) larger than the corresponding experimental values. In addition, RASPT2 calculations with various active spaces converge on a 1B1u-3B1u energy gap of 0.137 eV, in excellent agreement with the 0.14 eV energy difference obtained from the NIPE spectrum. Finally, calculations of the Franck-Condon factors for transitions from the ground state of (CS)4∙- to the ground (1A1g) and two excited states (3B1u, 1B1u) of (CS)4 account for all of the major spectral peaks, and nicely reproduce vibrational structure observed in each electronic transition. The close correspondence between the calculated and the observed features in the NIPE spectrum of (CS)4∙- provides unequivocal proof that (CS)4, unlike (CO)4, has a singlet ground state.
Energy Transfer of Metastable State RbCs(13Ⅱ)in High Vibrational Levels%RbCs(13Ⅱ)亚稳电子态中高位振动能级间的能量转移
Institute of Scientific and Technical Information of China (English)
程玉锋; 栾楠楠; 蔡勤; 张利平; 戴康; 王倩; 沈异凡
2011-01-01
We have investigated collision vibrational energy transfer in RbCs[l3II(V)] and Ar system.Pump laser excitation of the spin-forbidden band had been used to produce l3II(v = 52,53,54). The probe laser was used to excite l3ll(v) to 53n(v' ). Laser induced fluorescence (LIF) from 53II -> I3 ∑+transit- ion was used to obtain effective lifetimes. From Stern-Volmer plots relaxation rate constants were yielded. For v being 54, 53 and 52 , rate constants are (4.4±0.4), (4.0±0.4)and(3.7±0.4) x 1012cm3m-1, respectively. They are increasing with vibrational quantum number. The time evolutions and relative intensities of the three states v = 54, 53 and 52 by preparing v = 54 were obtained. With the help of the integrating the population equations over all time, the two-quantum relaxation could be studied. Using experimental date rate constants for v = 54 → 53 and v = 54 → 52 are(1.9±0.4) and ((0.28 ±0.06) x 1012cm3m-1, respectively. The single quantum relaxation v = 1, accounts for only about 43 % of the total relaxation out of v = 54. Multiquantum relaxation (△v > 1) was found to be important at high vibrational states.%研究了RbCs(13H)高位振动态与Ar间的振动能量转移.脉冲激光分别激发自旋禁戒跃迁13Ⅱ(v=52,53,54←)11∑+,利用激光感应荧光(LIF)探测13Ⅱ(v)的弛豫过程,由振动态的有效寿命通过Stern-Volmer公式得到(v=52,53,54)的弛豫速率系数分别是(3.7±0.4),(4.0±0.4)和(4.4±0.4)×1012cm3m-1,速率系数随v的增加而增大.激光只激发v=54态,改变检测激光与泵浦激光间的延迟时间,分别测量(v=54,53,52)态的LIF相对强度随时间的演化.从三粒子速率方程组,由积分布居数得到u=54→53和v=54→52转移速率系数分别为(1.9±0.4),(0.28±0.06)×1012cm3m-1,单量子弛豫△v=1占总弛豫速率系数的43多量子弛豫△v＞1在高位振动态弛豫过程中是重要的.
Possible States Theory and Human Destiny in the Cosmos
Thomson, Shelley; Brandenburg, John
Possible States Theory posits a universe of unique objects and unique collections of interactions between them. The interactions are designated the possible states. The states include past, future and possible interactions. The theory concerns the propagation of change in the collections of possible states. Using a few simple assumptions, it becomes possible to generalize about the occurrence of change. The theory is consistent with quantum electrodynamics in a finite and discrete environment; however, in the possible states universe, an interaction does not cause alternative possibilities to disappear. The picture of the universe yielded by the theory differs from the conventional viewpoint in important ways. Past, future and possible states may interact with one another; interactions occur without reference to location in space-time. Given that all possibilities are present, the possible states universe is complete. Per Gšdel's incompleteness theorems, the universe cannot be unambiguously described as information. Many truths, some contradicting each other, can simultaneously exist. The human future already participates in the present, opening possibilities never previously envisaged. To imagine the future, therefore, is to quantum mechanically assemble it. Accordingly, humanity prepares its path to the stars by dreaming of it.
Anatomy of zero-norm states in string theory
Chan, Chuan-Tsung; Lee, Jen-Chi; Yi-Yang
2005-04-01
We calculate and identify the counterparts of zero-norm states in the old covariant first quantized (OCFQ) spectrum of open bosonic string in two other quantization schemes of string theory, namely, the light-cone Del Giudice Di Vecchia Fubine zero-norm states and the off-shell Becchi-Rouet-Stora-Tyutin (BRST) zero-norm states (with ghost) in the Witten string field theory (WSFT). In particular, special attention is paid to the interparticle zero-norm states in all quantization schemes. For the case of the off-shell BRST zero-norm states, we impose the no-ghost conditions and recover exactly two types of on-shell zero-norm states in the OCFQ string spectrum for the first few low-lying mass levels. We then show that off-shell gauge transformations of WSFT are identical to the on-shell stringy gauge symmetries generated by two types of zero-norm states in the generalized massive σ-model approach of string theory. The high-energy limit of these stringy gauge symmetries was recently used to calculate the proportionality constants, conjectured by Gross, among high-energy scattering amplitudes of different string states. Based on these zero-norm state calculations, we have thus related gauge symmetry of WSFT to the high-energy stringy symmetry of Gross.
State variable theories based on Hart's formulation
Energy Technology Data Exchange (ETDEWEB)
Korhonen, M.A.; Hannula, S.P.; Li, C.Y.
1985-01-01
In this paper a review of the development of a state variable theory for nonelastic deformation is given. The physical and phenomenological basis of the theory and the constitutive equations describing macroplastic, microplastic, anelastic and grain boundary sliding enhanced deformation are presented. The experimental and analytical evaluation of different parameters in the constitutive equations are described in detail followed by a review of the extensive experimental work on different materials. The technological aspects of the state variable approach are highlighted by examples of the simulative and predictive capabilities of the theory. Finally, a discussion of general capabilities, limitations and future developments of the theory and particularly the possible extensions to cover an even wider range of deformation or deformation-related phenomena is presented.
Towards state locality in quantum field theory: free fermions
Oeckl, Robert
2013-01-01
We provide a restricted solution to the state locality problem in quantum field theory for the case of free fermions. Concretely, we present a functorial quantization scheme that takes as input a classical free fermionic field theory. Crucially, no data is needed beyond the classical structures evident from a Lagrangian setting. The output is a quantum field theory encoded in a weakened version of the positive formalism of the general boundary formulation. When the classical data is augmented with complex structures on hypersurfaces, the quantum data correspondingly augment to the full positive formalism and the standard quantization of free fermionic field theory is recovered. This augmentation can be performed selectively, i.e., it may be limited to a subcollection of hypersurfaces. The state locality problem arises from the fact that suitable complex structures only exist on a very restricted class of unbounded hypersurfaces. But standard quantization requires them on all hypersurfaces and is thus only abl...
Anthropic-principle arguments against steady-state cosmological theories
Energy Technology Data Exchange (ETDEWEB)
Tipler, F.J. (Tulane Univ., New Orleans, LA (USA))
1982-04-01
Steady-state theories are very difficult to rule out on observational grounds, particularly if they are adjusted to contain a three-degree isotropic thermal-background radiation. However, anthropic-principle arguments can be used to rule out virtually any cosmological theory which has the universe stationary in the large. For example, anthropic considerations show that the perfect cosmological principle is self-contradictory.
Moule, D. C.; Smeyers, Y. G.; Senent, María Luisa; Clouthier, D. J.; Karolczak, J.; Judge, R. H.
1991-01-01
Jet-cooled, laser-induced phosphorescence excitation spectra (LIP) of thioacetone (CH3)2CS/(CD3)2 CS have been recorded over the region 16 800-18 500 cm-1 using the pyrolysis jet spectroscopic technique. The responsible electronic transition, T 1 ←-S0, ã 3 A ″ ← X̃ 1A1, results from an n → π* electron promotion and gives rise to a pattern of vibronic bands that were attributed to activity of the methyl torsion and the sulphur out-of-plane wagging modes. The intensities of the torsional and wa...
Resource theory of quantum states out of thermal equilibrium.
Brandão, Fernando G S L; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M; Spekkens, Robert W
2013-12-20
The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here, we return to the basic questions of thermodynamics using the formalism of resource theories developed in quantum information theory and show that the free energy of thermodynamics emerges naturally from the resource theory of energy-preserving transformations. Specifically, the free energy quantifies the amount of useful work which can be extracted from asymptotically many copies of a quantum system when using only reversible energy-preserving transformations and a thermal bath at fixed temperature. The free energy also quantifies the rate at which resource states can be reversibly interconverted asymptotically, provided that a sublinear amount of coherent superposition over energy levels is available, a situation analogous to the sublinear amount of classical communication required for entanglement dilution.
Resource Theory of Quantum States Out of Thermal Equilibrium
Brandão, Fernando G. S. L.; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M.; Spekkens, Robert W.
2013-12-01
The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here, we return to the basic questions of thermodynamics using the formalism of resource theories developed in quantum information theory and show that the free energy of thermodynamics emerges naturally from the resource theory of energy-preserving transformations. Specifically, the free energy quantifies the amount of useful work which can be extracted from asymptotically many copies of a quantum system when using only reversible energy-preserving transformations and a thermal bath at fixed temperature. The free energy also quantifies the rate at which resource states can be reversibly interconverted asymptotically, provided that a sublinear amount of coherent superposition over energy levels is available, a situation analogous to the sublinear amount of classical communication required for entanglement dilution.
Functional approach to squeezed states in non commutative theories
Lubo, M
2004-01-01
We review some noncommutative theories in which no state saturates simultaneously all the non trivial Heisenberg uncertainty relations. We show how the difference of structure between the Poisson brackets and the commutators in these theories generically leads to a harmonic oscillator whose position mean value is not strictly equal to the one predicted by classical mechanics. This raises the question of the nature of quasi classical states in these models. We propose an extension based on a variational principle. The action considered is the sum of the squares of the terms associated to the non trivial Heisenberg uncertainty relations. We first verify that our proposal works in the usual theory: we recover the known gaussian functions and, besides them, other states which can be expressed as products of gaussians with specific hypergeometrics. We illustrate our construction in three models defined on a four dimensional phase space: two models endowed with a minimal length uncertainty and the non commutative p...
Syntheses and Structures of Alkali Metal Rare Earth Polyphosphates CsLn(PO3)4 (Ln = La, Ce)
Institute of Scientific and Technical Information of China (English)
ZHU Jing; CHENG Wen-Dan; ZHANG Hao; WU Dong-Sheng; ZHAO Dan
2008-01-01
Alkali metal-rare earth polyphosphates, CsLn(PO3)4 (Ln = La, Ce), were synthesized by the high temperature solution reaction and studied by single-crystal X-ray diffraction technique. They crystallize in the monoclinic space group P21 (Z = 2) and feature infinite PO4 spiral chains linked with neighboring CsO10 and LnO8 polyhedra. In addition, theoretically calculated energy band structure and density of states (DOS) by the density functional theory(DFT) predict that the solid-state compound CsLa(PO3)4 possesses insulative character.
Do Mixed States save Effective Field Theory from BICEP?
Collins, Hael; Vardanyan, Tereza
2014-01-01
The BICEP2 collaboration has for the first time observed the B-mode polarization associated with inflationary gravitational waves. Their result has some discomfiting implications for the validity of an effective theory approach to single-field inflation since it would require an inflaton field excursion larger than the Planck scale. We argue that if the quantum state of the gravitons is a mixed state based on the Bunch-Davies vacuum, then the tensor to scalar ratio r measured by BICEP is different than the quantity that enters the Lyth bound. When this is taken into account, the tension between effective field theory and the BICEP result is alleviated.
Modular Hamiltonian for Excited States in Conformal Field Theory.
Lashkari, Nima
2016-07-22
We present a novel replica trick that computes the relative entropy of two arbitrary states in conformal field theory. Our replica trick is based on the analytic continuation of partition functions that break the Z_{n} replica symmetry. It provides a method for computing arbitrary matrix elements of the modular Hamiltonian corresponding to excited states in terms of correlation functions. We show that the quantum Fisher information in vacuum can be expressed in terms of two-point functions on the replica geometry. We perform sample calculations in two-dimensional conformal field theories.
Anomalous reparametrizations and butterfly states in string field theory
Schnabl, M
2003-01-01
The reparametrization symmetries of Witten's vertex in ordinary or vacuum string field theories can be used to extract useful information about classical solutions of the equations of motion corresponding to D-branes. It follows, that the vacuum string field theory in general has to be regularized. For the regularization recently considered by Gaiotto et al., we show that the identities we derive, are so constraining, that among all surface states they uniquely select the simplest butterfly projector discovered numerically by those authors. The reparametrization symmetries are also used to give a simple proof that the butterfly states and their generalizations are indeed projectors.
Modular Hamiltonian of Excited States in Conformal Field Theory
Lashkari, Nima
2015-01-01
We present a novel replica trick that computes the relative entropy of two arbitrary states in conformal field theory. Our replica trick is based on the analytic continuation of partition functions that break the replica Z_n symmetry. It provides a method for computing arbitrary matrix elements of the modular Hamiltonian corresponding to excited states in terms of correlation functions. We show that the quantum Fisher information in vacuum can be expressed in terms of two-point functions on the replica geometry. We perform sample calculations in two-dimensional conformal field theories.
Twisted boundary states in c=1 coset conformal field theories
Ishikawa, H; Ishikawa, Hiroshi; Yamaguchi, Atsushi
2003-01-01
We study the mutual consistency of twisted boundary conditions in the coset conformal field theory G/H. We calculate the overlap of the twisted boundary states of G/H with the untwisted ones, and show that the twisted boundary states are consistently defined in the diagonal modular invariant. The overlap of the twisted boundary states is expressed by the branching functions of a twisted affine Lie algebra. As a check of our argument, we study the diagonal coset theory so(2n)_1 \\oplus so(2n)_1/so(2n)_2, which is equivalent with the orbifold S^1/\\Z_2. We construct the boundary states twisted by the automorphisms of the unextended Dynkin diagram of so(2n), and show their mutual consistency by identifying their counterpart in the orbifold. For the triality of so(8), the twisted states of the coset theory correspond to neither the Neumann nor the Dirichlet boundary states of the orbifold and yield the conformal boundary states that preserve only the Virasoro algebra.
Anatomy of Zero-norm States in String Theory
Chan, C T; Yang, Y; Chan, Chuan-Tsung; Lee, Jen-Chi; Yang, Yi
2005-01-01
We identify and calculate the counterparts of zero-norm states in the old covariant first quantised (OCFQ) spectrum of open bosonic string in two other quantization schemes of string theory, namely, the light-cone DDF zero-norm states and the off-shell BRST zero-norm states (with ghost) in the Witten string field theory (WSFT). In particular, special attentions are paid to the inter-particle zero-norm states in all quantization schemes. For the case of the off-shell BRST zero-norm states, we impose the no ghost conditions and exactly recover two types of on-shell zero-norm states in the OCFQ string spectrum for the first few low-lying mass levels. We then show that off-shell gauge transformations of WSFT are identical to the on-shell stringy gauge symmetries generated by two typse of zero-norm states in the generalized massive s-model approach of string theory. The high energy limit of these stringy gauge symmetries was recently used to fix the proportionality constants among high energy scattering amplitudes...
Ma, Jie; Liu, Wenliang; Yang, Jinxin; Wu, Jizhou; Sun, Weiguo; Ivanov, Valery S.; Skublov, Alexei S.; Sovkov, Vladimir B.; Dai, Xingcan; Jia, Suotang
2014-12-01
We report on new observations of the photoassociation spectroscopy of ultracold cesium molecules using a highly sensitive detection technique and a combined analysis with all observed electronic states. The technique is achieved by directly modulating the frequency of the trapping lasers of a magneto-optical trap. New observations of the Cs2 0g - , 0u + , and 1g states at the asymptotes 6S1/2 + 6P1/2 and 6S1/2 + 6P3/2 are reported. The spectral range is extended to the red detuning of 112 cm-1 below the 6S1/2 + 6P3/2 dissociation limit. Dozens of vibrational levels of the ultracold Cs2 0g - , 0u + , and 1g states are observed for the first time. The available experimental binding energies of these states are analyzed simultaneously in a framework of the generalized LeRoy-Bernstein theory and the almost degenerate perturbation theory by Marinescu and Dalgarno [Phys. Rev. A: At., Mol., Opt. Phys. 52, 311 (1995)]. The unique atomic-related parameter c3 governing the dispersion forces of all the molecular states is estimated as (10.29 ± 0.05) a.u.
Perturbation Theory for Parent Hamiltonians of Matrix Product States
Szehr, Oleg; Wolf, Michael M.
2015-05-01
This article investigates the stability of the ground state subspace of a canonical parent Hamiltonian of a Matrix product state against local perturbations. We prove that the spectral gap of such a Hamiltonian remains stable under weak local perturbations even in the thermodynamic limit, where the entire perturbation might not be bounded. Our discussion is based on preceding work by Yarotsky that develops a perturbation theory for relatively bounded quantum perturbations of classical Hamiltonians. We exploit a renormalization procedure, which on large scale transforms the parent Hamiltonian of a Matrix product state into a classical Hamiltonian plus some perturbation. We can thus extend Yarotsky's results to provide a perturbation theory for parent Hamiltonians of Matrix product states and recover some of the findings of the independent contributions (Cirac et al in Phys Rev B 8(11):115108, 2013) and (Michalakis and Pytel in Comm Math Phys 322(2):277-302, 2013).
Liu, Wenliang; Wu, Jizhou; Ma, Jie; Li, Peng; Sovkov, Vladimir B.; Xiao, Liantuan; Jia, Suotang
2016-09-01
We report photoassociation (PA) of ultracold Na and Cs atoms in a dual-species magneto-optical trap. Trap loss spectroscopy of the ultracold polar NaCs molecules formed by PA, which carries information about relative PA transition strengths, has been experimentally obtained by using highly sensitive modulation spectroscopy technique. The fine and hyperfine effects at near-dissociation levels of NaCs molecular c +3Σ state are observed and modeled. The interaction Hamiltonian is described in terms of the Hund's case (a ) coupling scheme. The molecular hyperfine structure of near-dissociation levels is simulated within a simplified model of four interacting vibrational levels belonging to different initially unperturbed electronic states. The results of the simulation infer that the interaction parameters of the observed near-dissociation levels are close to the asymptotic parameters of the pair of atoms. The coupling of the electronic states is essential for forming the hyperfine structure.
Theory of ground state factorization in quantum cooperative systems.
Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio
2008-05-16
We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.
Relativistic Multichannel Theory: Theoretical Study of C+ Autoionization States
Institute of Scientific and Technical Information of China (English)
XIA Dan; ZHANG Shi-Zhong; PENG Yong-Lun; LI Jia-Ming
2003-01-01
Based on relativistic multichannel theory, the autoionization states of C+ are studied. We calculate all the autoionization states in the energy region of 193900 ~ 231700cm"1, and the results are in good agreement with the experimental data. The energy structure we obtain will be important in the dielectronic recombination processes, which plays a key role in determining the abundance of carbon in a nebula.
Probing Gravitational Cat States in Canonical Quantum Theory vs Objective Collapse Theories
Derakhshani, Maaneli
2016-01-01
Using as a testbed the recently proposed "gravcat" experimental scheme in [1], we compare the properties of gravitational cat states in three descriptions: (1) canonical quantum theory (CQT) combined with the Newtonian limit of GR, (2) objective collapse theories (OCTs) extended to the regime of semiclassical Newtonian gravity, and (3) OCTs extended to incorporate quantized Newtonian gravity. For the CQT approach, we follow the treatment of Hu and Anastopoulos in [2]. For the OCTs, we conside...
Dimensional reduction of Markov state models from renormalization group theory
Orioli, S.; Faccioli, P.
2016-09-01
Renormalization Group (RG) theory provides the theoretical framework to define rigorous effective theories, i.e., systematic low-resolution approximations of arbitrary microscopic models. Markov state models are shown to be rigorous effective theories for Molecular Dynamics (MD). Based on this fact, we use real space RG to vary the resolution of the stochastic model and define an algorithm for clustering microstates into macrostates. The result is a lower dimensional stochastic model which, by construction, provides the optimal coarse-grained Markovian representation of the system's relaxation kinetics. To illustrate and validate our theory, we analyze a number of test systems of increasing complexity, ranging from synthetic toy models to two realistic applications, built form all-atom MD simulations. The computational cost of computing the low-dimensional model remains affordable on a desktop computer even for thousands of microstates.
Dimensional reduction of Markov state models from renormalization group theory.
Orioli, S; Faccioli, P
2016-09-28
Renormalization Group (RG) theory provides the theoretical framework to define rigorous effective theories, i.e., systematic low-resolution approximations of arbitrary microscopic models. Markov state models are shown to be rigorous effective theories for Molecular Dynamics (MD). Based on this fact, we use real space RG to vary the resolution of the stochastic model and define an algorithm for clustering microstates into macrostates. The result is a lower dimensional stochastic model which, by construction, provides the optimal coarse-grained Markovian representation of the system's relaxation kinetics. To illustrate and validate our theory, we analyze a number of test systems of increasing complexity, ranging from synthetic toy models to two realistic applications, built form all-atom MD simulations. The computational cost of computing the low-dimensional model remains affordable on a desktop computer even for thousands of microstates.
BPS states in M-theory and twistorial constituents
Bandos, I A; Izquierdo, J M; Lukierski, J; Bandos, Igor A.; Azcarraga, Jose A. de; Izquierdo, Jose M.; Lukierski, Jerzy
2001-01-01
We provide a complete algebraic description of BPS states in M-theory in terms of primary constituents that we call BPS preons. We argue that any BPS state preserving k of the 32 supersymmetries is a composite of (32-k) BPS preons. In particular, the BPS states corresponding to the basic M2 and M5 branes are composed of 16 BPS preons. By extending the M-algebra to a generalized D=11 conformal superalgebra osp(1|64) we relate the BPS preons with its fundamental representation, the D=11 supertwistors.
Theory of the equation of state of hot dense matter
Energy Technology Data Exchange (ETDEWEB)
Barbee, T W; Surh, M; Yang, L H
1999-07-23
Ab initio molecular dynamics calculations are adapted to treat dense plasmas for temperatures exceeding the electronic Fermi temperature. Extended electronic states are obtained in a plane wave basis by using pseudopotentials for the ion cores in the local density approximation to density functional theory. The method reduces to conventional first principles molecular dynamics at low temperatures with the expected high level of accuracy. The occurrence of thermally excited ion cores at high temperatures is treated by means of final state pseudopotentials. The method is applied to the shock compression Hugoniot equation of state for aluminum. Good agreement with experiment is found for temperatures ranging from zero through 105K.
Mean-field theory of echo state networks
Massar, Marc; Massar, Serge
2013-04-01
Dynamical systems driven by strong external signals are ubiquitous in nature and engineering. Here we study “echo state networks,” networks of a large number of randomly connected nodes, which represent a simple model of a neural network, and have important applications in machine learning. We develop a mean-field theory of echo state networks. The dynamics of the network is captured by the evolution law, similar to a logistic map, for a single collective variable. When the network is driven by many independent external signals, this collective variable reaches a steady state. But when the network is driven by a single external signal, the collective variable is non stationary but can be characterized by its time averaged distribution. The predictions of the mean-field theory, including the value of the largest Lyapunov exponent, are compared with the numerical integration of the equations of motion.
Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura
2015-08-11
The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.
BPS states in the Minahan-Nemeschansky E6 theory
Hollands, Lotte
2016-01-01
We use the method of spectral networks to compute BPS state degeneracies in the Minahan-Nemeschansky $E_6$ theory, on its Coulomb branch, without turning on a mass deformation. The BPS multiplicities come out in representations of the $E_6$ flavor symmetry. For example, along the simplest ray in electromagnetic charge space, we give the first $14$ numerical degeneracies, and the first $7$ degeneracies as representations of $E_6$. We find a complicated spectrum, exhibiting exponential growth of multiplicities as a function of the electromagnetic charge. There is one unexpected outcome: the spectrum is consistent (in a nontrivial way) with the hypothesis of "spin purity," that if a BPS state in this theory has electromagnetic charge equal to $n$ times a primitive charge, then it appears in a spin-$\\frac{n}{2}$ multiplet.
Optimal Differential Routing based on Finite State Machine Theory
M. S. Krishnamoorthy; Loy, James R.; McDonald, John F.
1999-01-01
Noise margins in high speed digital systems continue to erode. Full differential signal routing provides a mechanism for deferring these effects. This paper proposes a three stage routing process for solving the adjacent placement routing problem of differential signal pairs, and proves that it is optimal. The process views differential pairs as logical nets; routes the logical nets; then bifurcates the result to achieve a physical realization. Finite state machine theory provides the critica...
Fourth-Order Vibrational Transition State Theory and Chemical Kinetics
Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.
2015-06-01
Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the ``gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.
Structural properties of effective potential model by liquid state theories
Institute of Scientific and Technical Information of China (English)
Xiang Yuan-Tao; Andrej Jamnik; Yang Kai-Wei
2010-01-01
This paper investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential by grand canonical ensemble Monte Carlo (GCEMC) simulation and classical liquid state theories. The chosen oscillatory potential incorporates basic interaction terms used in modeling of various complex fluids which is composed of mesoscopic particles dispersed in a solvent bath, the studied structural properties include radial distribution function in bulk and inhomogeneous density distribution profile due to influence of several external fields. The GCEMC results are employed to test the validity of two recently proposed theoretical approaches in the field of atomic fluids. One is an Ornstein-Zernike integral equation theory approach; the other is a third order + second order perturbation density functional theory. Satisfactory agreement between the GCEMC simulation and the pure theories fully indicates the ready adaptability of the atomic fluid theories to effective model potentials in complex fluids, and classifies the proposed theoretical approaches as convenient tools for the investigation of complex fluids under the single component macro-fluid approximation.
The Hoyle state in nuclear lattice effective field theory
Indian Academy of Sciences (India)
Timo A Lähde; Evgeny Epelbaum; Hermann Krebs; Dean Lee; Ulf-G Meißner; Gautam Rupak
2014-11-01
We review the calculation of the Hoyle state of 12C in nuclear lattice effective field theory (NLEFT) and its anthropic implications in the nucleosynthesis of 12C and 16O in red giant stars. We also analyse the extension of NLEFT to the regime of medium-mass nuclei, with emphasis on the determination of the ground-state energies of the nuclei 16O, 20Ne, 24Mg, and 28Si by Euclidean time projection. Finally, we discuss recent NLEFT results for the spectrum, electromagnetic properties, and α-cluster structure of 16O.
Multiphase aluminum equations of state via density functional theory
Sjostrom, Travis; Crockett, Scott; Rudin, Sven
2016-10-01
We have performed density functional theory (DFT) based calculations for aluminum in extreme conditions of both pressure and temperature, up to five times compressed ambient density, and over 1 000 000 K in temperature. In order to cover such a domain, DFT methods including phonon calculations, quantum molecular dynamics, and orbital-free DFT are employed. The results are then used to construct a SESAME equation of state for the aluminum 1100 alloy, encompassing the fcc, hcp, and bcc solid phases as well as the liquid regime. We provide extensive comparison with experiment, and based on this we also provide a slightly modified equation of state for the aluminum 6061 alloy.
Quantum Entanglement of Locally Excited States in Maxwell Theory
Nozaki, Masahiro
2016-01-01
In 4 dimensional Maxwell gauge theory, we study the changes of (Renyi) entangle-ment entropy which are defined by subtracting the entropy for the ground state from the one for the locally excited states generated by acting with the gauge invariant local operators on the state. The changes for the operators which we consider in this paper reflect the electric-magnetic duality. The late-time value of changes can be interpreted in terms of electromagnetic quasi-particles. When the operator constructed of both electric and magnetic fields acts on the ground state, it shows that the operator acts on the late-time structure of quantum entanglement differently from free scalar fields.
Functional approach to squeezed states in non commutative theories
Lubo, Musongela
2004-05-01
We review here the quantum mechanics of some noncommutative theories in which no state saturates simultaneously all the non trivial Heisenberg uncertainty relations. We show how the difference of structure between the Poisson brackets and the commutators in these theories generically leads to a harmonic oscillator whose positions and momenta mean values are not strictly equal to the ones predicted by classical mechanics. This raises the question of the nature of quasi classical states in these models. We propose an extension based on a variational principle. The action considered is the sum of the absolute values of the expressions associated to the non trivial Heisenberg uncertainty relations. We first verify that our proposal works in the usual theory i.e. we recover the known gaussian functions. Besides them, we find other states which can be expressed as products of gaussians with specific hyper geometrics. We illustrate our construction in two models defined on a four dimensional phase space: a model endowed with a minimal length uncertainty and the non commutative plane. Our proposal leads to second order partial differential equations. We find analytical solutions in specific cases. We briefly discuss how our proposal may be applied to the fuzzy sphere and analyze its shortcomings.
Cs diffusion in SiC high-energy grain boundaries
Ko, Hyunseok; Szlufarska, Izabela; Morgan, Dane
2017-09-01
Cesium (Cs) is a radioactive fission product whose release is of concern for Tristructural-Isotropic fuel particles. In this work, Cs diffusion through high energy grain boundaries (HEGBs) of cubic-SiC is studied using an ab-initio based kinetic Monte Carlo (kMC) model. The HEGB environment was modeled as an amorphous SiC, and Cs defect energies were calculated using the density functional theory (DFT). From defect energies, it was suggested that the fastest diffusion mechanism is the diffusion of Cs interstitial in an amorphous SiC. The diffusion of Cs interstitial was simulated using a kMC model, based on the site and transition state energies sampled from the DFT. The Cs HEGB diffusion exhibited an Arrhenius type diffusion in the range of 1200-1600 °C. The comparison between HEGB results and the other studies suggests not only that the GB diffusion dominates the bulk diffusion but also that the HEGB is one of the fastest grain boundary paths for the Cs diffusion. The diffusion coefficients in HEGB are clearly a few orders of magnitude lower than the reported diffusion coefficients from in- and out-of-pile samples, suggesting that other contributions are responsible, such as radiation enhanced diffusion.
Institute of Scientific and Technical Information of China (English)
程玉锋; 栾楠; 蔡勤; 张利平; 戴康; 王倩; 沈异凡
2011-01-01
研究了Cs2[13Πu(v)]和Cs原子间的振动能量转移.利用激光感生荧光(LIF)探测Cs2[13Πu(v)]的弛豫过程,由时间分辨LIF的对数描绘得到振动态的有效寿命,从不同Cs原子密度下的有效寿命利用Stern-Volmer公式得到振动能级的弛豫率,速率系数随v的增加而增大.从相邻二振动能级的布居密度之比得到振动弛豫速率常数kv,v-1.在高位振动态的传能过程中,多量子弛豫(Δv＞1)是重要的.%We have investigated the vibrational energy transfer rate constants between CS2[l3IIu(v)]and Cs atoms. Laser induced fluorescence(LIF)was used to detect collisionally relaxed Gs2[13IIu(v)] .The semilog plots of the time - resolved LIF at different dendities of Cs had been obtained.The slopes yielded the effective lifetimes. From such data several Stem - Volmer plots can be constructed and the relaxation rate constants can be extracted for the sum of all process that give rise to the delay of the prepared vibrational state. The vibrational relaxation rate is increasing with vibrational quantum number. The ratios of the populations of the neighboring states were measured. The state (v) to state (v- 1)vibrational relaxation rate constants kv,v_1 were obtained. Multiquantum relaxation (△v> 1) was found to be important at high vibrational states.
Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
Directory of Open Access Journals (Sweden)
S. Torquato
2015-05-01
Full Text Available It has been shown numerically that systems of particles interacting with isotropic “stealthy” bounded long-ranged pair potentials (similar to Friedel oscillations have classical ground states that are (counterintuitively disordered, hyperuniform, and highly degenerate. Disordered hyperuniform systems have received attention recently because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d-dimensional Euclidean space R^{d} is highly nontrivial because the dimensionality of the configuration space depends on the number density ρ and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. The purpose of this paper is to take some initial steps in this direction. Specifically, we derive general exact relations for thermodynamic properties (energy, pressure, and isothermal compressibility that apply to any ground-state ensemble as a function of ρ in any d, and we show how disordered degenerate ground states arise as part of the ground-state manifold. We also derive exact integral conditions that both the pair correlation function g_{2}(r and structure factor S(k must obey for any d. We then specialize our results to the canonical ensemble (in the zero-temperature limit by exploiting an ansatz that stealthy states behave remarkably like “pseudo”-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for g_{2}(r and S(k are in excellent agreement with computer simulations across the first three space dimensions. These results are used to obtain order metrics, local number variance, and nearest-neighbor functions across dimensions. We also derive
Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
Torquato, S.; Zhang, G.; Stillinger, F. H.
2015-04-01
It has been shown numerically that systems of particles interacting with isotropic "stealthy" bounded long-ranged pair potentials (similar to Friedel oscillations) have classical ground states that are (counterintuitively) disordered, hyperuniform, and highly degenerate. Disordered hyperuniform systems have received attention recently because they are distinguishable exotic states of matter poised between a crystal and liquid that are endowed with novel thermodynamic and physical properties. The task of formulating an ensemble theory that yields analytical predictions for the structural characteristics and other properties of stealthy degenerate ground states in d -dimensional Euclidean space Rd is highly nontrivial because the dimensionality of the configuration space depends on the number density ρ and there is a multitude of ways of sampling the ground-state manifold, each with its own probability measure for finding a particular ground-state configuration. The purpose of this paper is to take some initial steps in this direction. Specifically, we derive general exact relations for thermodynamic properties (energy, pressure, and isothermal compressibility) that apply to any ground-state ensemble as a function of ρ in any d , and we show how disordered degenerate ground states arise as part of the ground-state manifold. We also derive exact integral conditions that both the pair correlation function g2(r ) and structure factor S (k ) must obey for any d . We then specialize our results to the canonical ensemble (in the zero-temperature limit) by exploiting an ansatz that stealthy states behave remarkably like "pseudo"-equilibrium hard-sphere systems in Fourier space. Our theoretical predictions for g2(r ) and S (k ) are in excellent agreement with computer simulations across the first three space dimensions. These results are used to obtain order metrics, local number variance, and nearest-neighbor functions across dimensions. We also derive accurate analytical
Concepts of Order-Disorder Theory in the Undergraduate Curriculum.
Honig, J. M.
1980-01-01
Describes how a simplified version of order-disorder theory can be presented in an undergraduate course on physical or solid state chemistry. This version is also shown to be useful in dealing with a variety of physical phenomena. (CS)
Introduction to Sampling Theory via Low-Cost Transient Recorder.
Basano, L.; Ottonello, P.
1981-01-01
Describes an application of solid-state memories in a laboratory course, which enables students to build electronic devices. Also introduces the fundamentals of analog-to-digital conversion and sampling theory. (CS)
2014-03-14
cyanide constituents (Figure 2) (64). It is only slightly soluble in water but readily dissolves in many organic solvents including acetone...capture both the aerosol and vapor phases of CS (68). Regardless of collection method, CS is extracted from the media using 20% methylene chloride...by an activated carbon filter impregnated with copper, zinc, silver, molybdenum , and triethylenediamine, designed to remove chemical warfare agents
Steady-State Density Functional Theory for Finite Bias Conductances.
Stefanucci, G; Kurth, S
2015-12-09
In the framework of density functional theory, a formalism to describe electronic transport in the steady state is proposed which uses the density on the junction and the steady current as basic variables. We prove that, in a finite window around zero bias, there is a one-to-one map between the basic variables and both local potential on as well as bias across the junction. The resulting Kohn-Sham system features two exchange-correlation (xc) potentials, a local xc potential, and an xc contribution to the bias. For weakly coupled junctions the xc potentials exhibit steps in the density-current plane which are shown to be crucial to describe the Coulomb blockade diamonds. At small currents these steps emerge as the equilibrium xc discontinuity bifurcates. The formalism is applied to a model benzene junction, finding perfect agreement with the orthodox theory of Coulomb blockade.
de Lasson, Jakob Rosenkrantz; Mørk, Jesper; Gregersen, Niels
2015-01-01
We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non-trivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.
Reduced M(atrix) theory models: ground state solutions
López, J L
2015-01-01
We propose a method to find exact ground state solutions to reduced models of the SU($N$) invariant matrix model arising from the quantization of the 11-dimensional supermembrane action in the light-cone gauge. We illustrate the method by applying it to lower dimensional toy models and for the SU(2) group. This approach could, in principle, be used to find ground state solutions to the complete 9-dimensional model and for any SU($N$) group. The Hamiltonian, the supercharges and the constraints related to the SU($2$) symmetry are built from operators that generate a multicomponent spinorial wave function. The procedure is based on representing the fermionic degrees of freedom by means of Dirac-like gamma matrices, as was already done in the first proposal of supersymmetric (SUSY) quantum cosmology. We exhibit a relation between these finite $N$ matrix theory ground state solutions and SUSY quantum cosmology wave functions giving a possible physical significance of the theory even for finite $N$.
Confinement in the q-state Potts field theory
Delfino, Gesualdo
2007-01-01
The q-state Potts field theory describes the universality class associated to the spontaneous breaking of the permutation symmetry of q colors. In two dimensions it is defined up to q=4 and exhibits duality and integrability away from critical temperature in absence of magnetic field. We show how, when a magnetic field is switched on, it provides the simplest model of confinement allowing for both mesons and baryons. Deconfined quarks (kinks) exist in a phase bounded by a first order transition on one side, and a second order transition on the other. The evolution of the mass spectrum with temperature and magnetic field is discussed.
A theory of nonequilibrium steady states in quantum chaotic systems
Wang, Pei
2017-09-01
Nonequilibrium steady state (NESS) is a quasistationary state, in which exist currents that continuously produce entropy, but the local observables are stationary everywhere. We propose a theory of NESS under the framework of quantum chaos. In an isolated quantum system whose density matrix follows a unitary evolution, there exist initial states for which the thermodynamic limit and the long-time limit are noncommutative. The density matrix \\hat ρ of these states displays a universal structure. Suppose that \\renewcommand{\\ket}[1]{{\\vert #1 >}} \\ketα and \\renewcommand{\\ket}[1]{{\\vert #1 >}} \\ketβ are different eigenstates of the Hamiltonian with energies E_α and E_β , respectively. \\renewcommand{\\bra}[1]{} \\braα\\hat ρ \\ketβ behaves as a random number which has zero mean. In thermodynamic limit, the variance of \\renewcommand{\\bra}[1]{} \\braα\\hat ρ \\ketβ is a smooth function of ≤ft\\vert E_α-E_β\\right\\vert , scaling as 1/≤ft\\vert E_α-E_β\\right\\vert 2 in the limit ≤ft\\vert E_α-E_β\\right\\vert \\to 0 . If and only if this scaling law is obeyed, the initial state evolves into NESS in the long time limit. We present numerical evidence of our hypothesis in a few chaotic models. Furthermore, we find that our hypothesis indicates the eigenstate thermalization hypothesis (ETH) for current operators in a bipartite system.
Quantum Transition State Theory for proton transfer reactions in enzymes
Bothma, Jacques P; McKenzie, Ross H
2009-01-01
We consider the role of quantum effects in the transfer of hyrogen-like species in enzyme-catalysed reactions. This study is stimulated by claims that the observed magnitude and temperature dependence of kinetic isotope effects imply that quantum tunneling below the energy barrier associated with the transition state significantly enhances the reaction rate in many enzymes. We use a path integral approach which provides a general framework to understand tunneling in a quantum system which interacts with an environment at non-zero temperature. Here the quantum system is the active site of the enzyme and the environment is the surrounding protein and water. Tunneling well below the barrier only occurs for temperatures less than a temperature $T_0$ which is determined by the curvature of potential energy surface near the top of the barrier. We argue that for most enzymes this temperature is less than room temperature. For physically reasonable parameters quantum transition state theory gives a quantitative descr...
GRAPHICAL ANALYSIS OF LAFFER'S THEORY FOR EUROPEAN UNION MEMBER STATES
Directory of Open Access Journals (Sweden)
LILIANA BUNESCU
2013-04-01
Full Text Available Most times the current situation of one or another country depends on the historical development of own tax system. A practical question of any governance is to determine the optimal taxation rate level, bringing to the state the highest tax revenues. A good place to start is with what is popularly known as the Laffer curve. This paper aims to determine in graphical terms the level where European economies ranks by using Laffer curve based on the data series provided by the European Commission and the World Bank. Graphical analysis of Laffer's theory can emphasize only the positioning on one or another side of point for maximum tax revenues, a position that can influence fiscal policy decisions. Conclusions at European Union level are simple. Value of taxation rate for fiscal optimal point varies from one Member State to another, from 48.9% in Denmark to 28% in Romania, with an average of 37.1% for the EU-27.
Extending Molecular Theory to Steady-State Diffusing Systems
Energy Technology Data Exchange (ETDEWEB)
FRINK,LAURA J. D.; SALINGER,ANDREW G.; THOMPSON,AIDAN P.
1999-10-22
Predicting the properties of nonequilibrium systems from molecular simulations is a growing area of interest. One important class of problems involves steady state diffusion. To study these cases, a grand canonical molecular dynamics approach has been developed by Heffelfinger and van Swol [J. Chem. Phys., 101, 5274 (1994)]. With this method, the flux of particles, the chemical potential gradients, and density gradients can all be measured in the simulation. In this paper, we present a complementary approach that couples a nonlocal density functional theory (DFT) with a transport equation describing steady-state flux of the particles. We compare transport-DFT predictions to GCMD results for a variety of ideal (color diffusion), and nonideal (uphill diffusion and convective transport) systems. In all cases excellent agreement between transport-DFT and GCMD calculations is obtained with diffusion coefficients that are invariant with respect to density and external fields.
Significance of Negative Energy States in Quantum Field Theory $(1) $
Chen Sow Hsin
2002-01-01
We suppose that there are both particles with negative energies described by $\\QTR{cal}{L}_{W}$ and particles with positive energies described by $\\QTR{cal}{L}_{F},$ $\\QTR{cal}{L=L}_{F\\text{}}+\\QTR{cal}{L}_{W},$ $\\QTR{cal}{L}_{F\\text{}}$ is equivalent to Lagragian density of the conventional QED, $\\QTR{cal}{L}_{W}$ and $\\QTR{cal}{L}_{F\\text{}}$ are symmetric, independent of each other before quantization and dependent on each other after quantization. From this we define transfomation operators and quantize free fields by the transformation operators replacing the creation and annihilation operators in the conventional QED. That the energy of the vacuum state is equal to zero is naturally obtained. Thus we can easily determine the cosmological constant according to data of astronomical observation, and it is possible to correct nonperturbational methods which depend on the energy of the ground state in quantum field theory.
Energy Technology Data Exchange (ETDEWEB)
Nesse, R.J.; Scheer, R.M.; Marasco, A.L.; Furey, R.
1980-10-01
President Carter issued Executive Order 12044 (3/28/78) that required all Federal agencies to distinguish between significant and insignificant regulations, and to determine whether a regulation will result in major impacts. This study gathered information on the impact of the order and the guidelines on the Office of Conservation and Solar Energy (CS) regulatory practices, investigated problems encountered by the CS staff when implementing the order and guidelines, and recommended solutions to resolve these problems. Major tasks accomplished and discussed are: (1) legislation, Executive Orders, and DOE Memoranda concerning Federal administrative procedures relevant to the development and analysis of regulations within CS reviewed; (2) relevant DOE Orders and Memoranda analyzed and key DOE and CS staff interviewed in order to accurately describe the current CS regulatory process; (3) DOE staff from the Office of the General Counsel, the Office of Policy and Evaluation, the Office of the Environment, and the Office of the Secretary interviewed to explore issues and problems encountered with current CS regulatory practices; (4) the regulatory processes at five other Federal agencies reviewed in order to see how other agencies have approached the regulatory process, dealt with specific regulatory problems, and responded to the Executive Order; and (5) based on the results of the preceding four tasks, recommendations for potential solutions to the CS regulatory problems developed. (MCW)
Angry drivers: a test of state-trait theory.
Deffenbacher, Jerry L; Richards, Tracy L; Filetti, Linda B; Lynch, Rebekah S
2005-08-01
Tested hypotheses from state-trait theory applied to anger while driving. College student drivers high in trait driving anger were compared to drivers low in trait driving anger. High anger drivers were more frequently angered in day-to-day driving (frequency hypothesis). They reported more intense anger in their most angering driving situations, when visualizing provocative driving events, and in day-to-day driving (intensity hypothesis). Driving diaries and surveys showed they engaged in more aggressive behavior and expressed their anger through more verbal, physical, and vehicular means (aggression hypothesis). They reported handling of their anger less well when visualizing provocative events and on the Adaptive/Constructive Expression scale (reduced adaptive expression hypothesis). They engaged in risky behavior (risky behavior hypothesis) and experienced more moving violations, close calls, and losses of concentration, but not more major or minor accidents (partial support for crash-related outcomes hypothesis). High anger drivers were more generally angry and impulsive and employed more negative, less controlled forms of general anger expression. Results supported state-trait theory and added to the literature showing that high anger drivers have some other psychological and behavioral characteristics that may interact negatively with anger behind the wheel.
Solving Witten's string field theory using the butterfly state
Okawa, Y
2003-01-01
We solve the equation of motion of Witten's cubic open string field theory in a series expansion using the regulated butterfly state. The expansion parameter is given by the regularization parameter of the butterfly state, which can be taken to be arbitrarily small. Unlike the case of level truncation, the equation of motion can be solved for an arbitrary component of the Fock space up to a positive power of the expansion parameter. The energy density of the solution is well-defined and remains finite even in the singular butterfly limit, and it gives approximately 68% of the D25-brane tension for the solution at the leading order. Moreover, it simultaneously solves the equation of motion of vacuum string field theory, providing support for the conjecture at this order. We further improve our ansatz by taking into account next-to-leading terms, and find two numerical solutions which give approximately 88% and 109%, respectively, of the D25-brane tension for the energy density. These values are interestingly c...
Transition State Theory: Variational Formulation, Dynamical Corrections, and Error Estimates
vanden-Eijnden, Eric
2009-03-01
Transition state theory (TST) is discussed from an original viewpoint: it is shown how to compute exactly the mean frequency of transition between two predefined sets which either partition phase space (as in TST) or are taken to be well separate metastable sets corresponding to long-lived conformation states (as necessary to obtain the actual transition rate constants between these states). Exact and approximate criterions for the optimal TST dividing surface with minimum recrossing rate are derived. Some issues about the definition and meaning of the free energy in the context of TST are also discussed. Finally precise error estimates for the numerical procedure to evaluate the transmission coefficient κS of the TST dividing surface are given, and it shown that the relative error on κS scales as 1/√κS when κS is small. This implies that dynamical corrections to the TST rate constant can be computed efficiently if and only if the TST dividing surface has a transmission coefficient κS which is not too small. In particular the TST dividing surface must be optimized upon (for otherwise κS is generally very small), but this may not be sufficient to make the procedure numerically efficient (because the optimal dividing surface has maximum κS, but this coefficient may still be very small).
Random tensor theory: extending random matrix theory to random product states
Ambainis, Andris; Hastings, Matthew B
2009-01-01
We consider a problem in random matrix theory that is inspired by quantum information theory: determining the largest eigenvalue of a sum of p random product states in (C^d)^{otimes k}, where k and p/d^k are fixed while d grows. When k=1, the Marcenko-Pastur law determines (up to small corrections) not only the largest eigenvalue ((1+sqrt{p/d^k})^2) but the smallest eigenvalue (min(0,1-sqrt{p/d^k})^2) and the spectral density in between. We use the method of moments to show that for k>1 the largest eigenvalue is still approximately (1+sqrt{p/d^k})^2 and the spectral density approaches that of the Marcenko-Pastur law, generalizing the random matrix theory result to the random tensor case. Our bound on the largest eigenvalue has implications for a recently proposed quantum data hiding scheme due to Leung and Winter. Since the matrices we consider have neither independent entries nor unitary invariance, we need to develop new techniques for their analysis. The main contribution of this paper is to give three dif...
Mesbah, Adel; Prakash, Jai; Rocca, Dario; Lebègue, Sébastien; Beard, Jessica C.; Lewis, Benjamin A.; Ibers, James A.
2016-01-01
Five new compounds belonging to the ABaMQ4 family were synthesized by solid-state chemistry at 1123 K. The compounds RbBaPS4, CsBaPS4, CsBaVS4, RbBaVSe4, and CsBaVSe4 are isostructural and have the TlEuPS4 structure type. They crystallize in space group D162h - Pnma of the orthorhombic system. Their structure consists isolated MQ4 tetrahedra separated by A and Ba atoms to form a salt-like structure. Density Functional Theory (DFT) calculations of the electronic structures with the use of the HSE functional suggest that the compounds are semiconductors with calculated band gaps of 3.3 eV (RbBaPS4), 3.4 eV (CsBaPS4), 2.3 eV (CsBaVS4), and 1.6 eV (RbBaVSe4).
Transition-state theory predicts clogging at the microscale
Laar, T. Van De; Klooster, S. Ten; Schroën, K.; Sprakel, J.
2016-06-01
Clogging is one of the main failure mechanisms encountered in industrial processes such as membrane filtration. Our understanding of the factors that govern the build-up of fouling layers and the emergence of clogs is largely incomplete, so that prevention of clogging remains an immense and costly challenge. In this paper we use a microfluidic model combined with quantitative real-time imaging to explore the influence of pore geometry and particle interactions on suspension clogging in constrictions, two crucial factors which remain relatively unexplored. We find a distinct dependence of the clogging rate on the entrance angle to a membrane pore which we explain quantitatively by deriving a model, based on transition-state theory, which describes the effect of viscous forces on the rate with which particles accumulate at the channel walls. With the same model we can also predict the effect of the particle interaction potential on the clogging rate. In both cases we find excellent agreement between our experimental data and theory. A better understanding of these clogging mechanisms and the influence of design parameters could form a stepping stone to delay or prevent clogging by rational membrane design.
Transition State Theory for dissipative systems without a dividing surface
Revuelta, F; Benito, R M; Borondo, F
2015-01-01
Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when the reactive system is coupled to an environment. The calculations made in this way then overestimate the reaction rate and the results depend critically on the choice of the dividing surface. In this Letter, we study the phase space of a stochastically driven system close to an energetic barrier in order to identify the geometric structure unambiguously determining the reactive trajectories, which is then incorporated in a simple rate formula for reactions in condensed phase that is both independent of the dividing surface and exact.
Automated Transition State Theory Calculations for High-Throughput Kinetics.
Bhoorasingh, Pierre L; Slakman, Belinda L; Seyedzadeh Khanshan, Fariba; Cain, Jason Y; West, Richard Henry
2017-08-18
A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kinetic models. To reduce the reliance on these estimates and improve the accuracy of predictive kinetic models, we have developed a high-throughput, fully automated, reaction rate calculation method, AutoTST. The algorithm integrates automated saddle-point geometry search methods and a canonical transition state theory kinetics calculator. The automatically calculated reaction rates compare favorably to existing estimated rates. Comparison against high level theoretical calculations show the new automated method performs better than rate estimates when the estimate is made by a poor analogy. The method will improve by accounting for internal rotor contributions and by improving methods to determine molecular symmetry.
Sleep-wake state tradeoffs, impulsivity and life history theory.
Miller, Alissa A; Rucas, Stacey L
2012-04-08
Evolutionary ecological theory predicts that sleep-wake state tradeoffs may be related to local environmental conditions and should therefore correlate to alterations in behavioral life history strategies. It was predicted that firefighters who slept more and reported better quality sleep on average would exhibit lower impulsivity inclinations related to slower life history trajectories. UPPS impulsivity scores and self-reported sleep averages were analyzed and indicated a negative association between sleep variables and urgency and a positive association with premeditation. Perseverance, and in some cases premeditation, however, disclosed an unpredicted marginally significant positive association between increased and emergency nighttime waking-related sleep deprivation. Sensation seeking was not associated with sleep variables, but was strongly associated with number of biological children. This research contributes to understanding the implications of human sleep across ecological and behavioral contexts and implies further research is necessary for constructing evolutionarily oriented measures of impulsivity inclination and its meaning in the context of life history strategies.
Directory of Open Access Journals (Sweden)
K. Ikeda
2004-12-01
Full Text Available Cs2[AuIX2][AuIIIX4](X = Cl, Br, and I is well known for the perovskite-type gold mixed-valence system. This system undergoes pressure-induced and photo-induced Au valence transition from the mixed valence state of AuI,III to the single valence state of AuII. Recently, we have succeeded in synthesizing new gold mixed-valence complexes having perovskite-type structure, Cs2[AuIX2][AuIIIY4](X, Y = halogen, X ¹ Y, in organic solvent by using a new method. This hetero-halogen bridged gold mixed-valence system was confirmed by means of Raman spectroscopy. From the analysis of 197Au Mössbauer spectra, it was elucidated that the charge transfer interaction between AuI(5dx2-y2 and AuIII(5dx2-y2in the a-b plane becomes dominant for the AuI-AuIII interaction in Cs2[AuIX2][AuIIIY4] (X, Y = Cl, Br, and I in the order of X = Cl < Br < I, where Y is fixed. In order to elucidate the Au valence transition for Cs2[AuIX2][AuIIIY4], we have investigated the X-ray diffraction and Raman spectra under high pressure. Moreover, we have synthesized TlAuX3(X = Cl and Br having cubic perovskite structure and highly conducting behavior. The Au valence state in TlAuX3 is considered to be AuII at ambient pressure.
Saßmannshausen, Heiner; Deiglmayr, Johannes; Merkt, Frédéric
2016-12-01
We present an overview of our recent investigations of long-range interactions in an ultracold Cs Rydberg gas. These interactions are studied by high-resolution photoassociation spectroscopy, using excitation close to one-photon transitions into np3/2 Rydberg states with pulsed and continuous-wave ultraviolet laser radiation, and lead to the formation of long-range Cs2 molecules. We observe two types of molecular resonances. The first type originates from the correlated excitation of two atoms into Rydberg-atom-pair states interacting at long range via multipole-multipole interactions. The second type results from the interaction of one atom excited to a Rydberg state with one atom in the electronic ground state. Which type of resonances is observed in the experiments depends on the laser intensity and frequency and on the pulse sequences used to prepare the Rydberg states. We obtain insights into both types of molecular resonances by modelling the interaction potentials, using a multipole expansion of the long-range interaction for the first type of resonances and a Fermi-contact pseudo-potential for the second type of resonances. We analyse the relation of these long-range molecular resonances to molecular Rydberg states and ion-pair states, and discuss their decay channels into atomic and molecular ions. In experiments carried out with a two-colour two-photon excitation scheme, we observe a large enhancement of Rydberg-excitation probability, which we interpret as a saturable autocatalytic antiblockade phenomenon.
Quantum scattering theory of a single-photon Fock state in three-dimensional spaces.
Liu, Jingfeng; Zhou, Ming; Yu, Zongfu
2016-09-15
A quantum scattering theory is developed for Fock states scattered by two-level systems in three-dimensional free space. It is built upon the one-dimensional scattering theory developed in waveguide quantum electrodynamics. The theory fully quantizes the incident light as Fock states and uses a non-perturbative method to calculate the scattering matrix.
Narayan, K S
2002-01-01
In this thesis, we discuss two topics—marginal stability in gauge theories and little string theories at the Hagedorn temperature. The spectrum of stable supersymmetric charged particle states can change discontinuously as we change the vacuum on the Coulomb branch of four dimensional gauge theories with extended supersymmetry. This discontinuous change manifests itself via the decay of some of these states which become marginally unstable across certain submanifolds in the Coulomb branch. We describe how this decay process can be studied through semiclassical field configurations, purely within the low energy effective action on the Coulomb branch, even at strong coupling. We then describe how these semiclassical field configurations naturally give rise to and generalize the string web description of these supersyrnmetric states found in D-brane constructions for some gauge theories. After a brief study of string web interactions in theories with sixteen supercharges, we move on to study the supers...
Institute of Scientific and Technical Information of China (English)
顾之雨; 钱尚武
2015-01-01
The GHZ states and W states are two fundamental types of three qubits quantum entangled states. For finding the knotted pictures of three nodes W states, on the one side, we empty any one node, thus obtaining three degenerated two-node W states, then we find the nonzero submatrix of the corresponding covariance correlation tensor in quantum network theory. On the other side, excepting the linkage 41 corresponding to Bell bases, we conjecture that the another one possible oriented link (which is composed of two-component knots entangled with each other and has four crossings) would be the required knotted pictures of the two nodes W states, thence obtain the nonzero submatrix of the Alexander relation matrix in the theory of knot crystals for these knotted pictures. The equality of the two nonzero submatrices of different kinds thus verify the exactness of our conjecture. The superposition of three knotted pictures of two-node W states from different choices of the emptied node gives the knotted pictures of three-node W states, thus shows the correspondence between three-node W states in quantum network theory and the oriented links in knot theory. Finally we point out that there is an intimate and simple relationship between the knotted pictures of GHZ states and W states.
Hyperfine frequencies of 87Rb and 133Cs atoms in Xe gas
McGuyer, B H; Happer, W; 10.1103/PhysRevA.84.030501
2013-01-01
The microwave resonant frequencies of ground-state 87Rb and 133Cs atoms in Xe buffer gas are shown to have a relatively large nonlinear dependence on the Xe pressure, presumably because of RbXe or CsXe van der Waals molecules. The nonlinear shifts for Xe are opposite in sign to the previously measured shifts for Ar and Kr, even though all three gases have negative linear shifts. The Xe data show striking discrepancies with the previous theory for nonlinear shifts. Most of this discrepancy is eliminated by accounting for the spin-rotation interaction in addition to the hyperfine-shift interaction in the molecules. To the limit of our experimental accuracy, the shifts of 87Rb and 133Cs in He, Ne, and N2 were linear with pressure.
Birzniece, I.; Docenko, O.; Nikolayeva, O.; Tamanis, M.; Ferber, R.
2013-04-01
The Fourier transform spectrometer with resolution of 0.03 cm-1 was applied to disperse the diode laser induced B(1)1Π → X1Σ+ fluorescence spectra of the RbCs molecule in a heat pipe. The presence of buffer gas (Ar) produced in the spectra the dense pattern of collision-induced rotation relaxation lines, thus enlarging the B(1)1Π data set, allowing to determine the Λ-splitting constants and to reveal numerous local perturbations. In total, 2664 term values for 85Rb133Cs and 87Rb133Cs in the energy range from 13 770 to 15 200 cm-1 were obtained with accuracy about 0.01 cm-1. A pointwise potential energy curve (PEC) based on inverted perturbation approach was constructed in the R-range from 3.35 to 9.00 Å for less perturbed vibrational levels v' ∈ [0, 35] and compared with ab initio calculations. The data included in the fit were reproduced by present PEC with standard deviation (sd) 0.95 cm-1. More systematic over rotational levels J' ∈ [6, 228] data set was obtained for v' ∈ [0, 2]. These data were reproduced by the obtained PEC with sd of 0.08 cm-1. The energy of PEC's minimum Te = 13 746.65 cm-1, as well as other main molecular constants were determined.
Sharma, Sandeep; Guo, Sheng; Alavi, Ali
2016-01-01
We present two efficient and intruder-free methods for treating dynamic correlation on top of general multi-configuration reference wave functions---including such as obtained by the density matrix renormalization group (DMRG) with large active spaces. The new methods are the second order variant of the recently proposed multi-reference linearized coupled cluster method (MRLCC) [S. Sharma, A. Alavi, J. Chem. Phys. 143, 102815 (2015)], and of N-electron valence perturbation theory (NEVPT2), with expected accuracies similar to MRCI+Q and (at least) CASPT2, respectively. Great efficiency gains are realized by representing the first-order wave function with a combination of internal contraction (IC) and matrix product state perturbation theory (MPSPT). With this combination, only third order reduced density matrices (RDMs) are required. Thus, we obviate the need for calculating (or estimating) RDMs of fourth or higher order; these had so far posed a severe bottleneck for dynamic correlation treatments involving t...
Composite Fermion Theory for the High Field Wigner Crystal State
Narevich, Romanas; Murthy, Ganpathy; Fertig, Herbert
2001-03-01
The low filling fraction Quantum Hall Effect is reexamined using the hamiltonian composite fermion theory developed by Shankar and Murthy(R. Shankar and G. Murthy, Phys. Rev. Lett. 79), 4437 (1997). We address the experiment by Jiang et. al.(H. W. Jiang et. al., Phys. Rev. B 44), 8107 (1991) where the insulating phase surrounding the ν=1/5 quantum liquid was observed and its activation energies (gaps) measured. Previous studies either found gaps that were off by few orders of magnitude (Hartree-Fock calculations of the electronic Wigner crystal(D. Yoshioka and H. Fukuyama, J. Phys. Soc. Japan 47), 394 (1979)) or were unable to calculate them because of the computational complexity (Monte-Carlo studies of the correlated crystal(H. Yi and H. A. Fertig, Phys. Rev. B 58), 4019 (1998)). We use the Hartree-Fock approximation for the periodic density state of composite fermions and find gaps that have a correct order of magnitude and reproduce the experimental dependence on the filling factor. We also report the results of the shear modulus calculation relevant for the collective pinning of the crystal.
DEFF Research Database (Denmark)
Christensen, Henrik Bærbak; Caspersen, Michael Edelgaard
2002-01-01
In this paper we argue that introducing object-oriented frameworks as subject already in the CS1 curriculum is important if we are to train the programmers of tomorrow to become just as much software reusers as software producers. We present a simple, graphical, framework that we have successfully...
What should be the roles of conscious states and brain states in theories of mental activity?
Directory of Open Access Journals (Sweden)
Donelson E Dulany
2011-03-01
Full Text Available Answers to the title's question have been influenced by a history in which an early science of consciousness was rejected by behaviourists on the argument that this entails commitment to ontological dualism and "free will" in the sense of indeterminism. This is, however, a confusion of theoretical assertions with metaphysical assertions. Nevertheless, a legacy within computational and information-processing views of mind rejects or de-emphasises a role for consciousness. This paper sketches a mentalistic metatheory in which conscious states are the sole carriers of symbolic representations, and thus have a central role in the explanation of mental activity and action-while specifying determinism and materialism as useful working assumptions. A mentalistic theory of causal learning, experimentally examined with phenomenal reports, is followed by examination of these questions: Are there common roles for phenomenal reports and brain imaging? Is there defensible evidence for unconscious brain states carrying symbolic representations? Are there interesting dissociations within consciousness?
Energy Technology Data Exchange (ETDEWEB)
Loaiza C, S.P. [UAEM, Programa de Maestria en Fisica Medica, 50180, Toluca, Estado de Mexico (Mexico); Alvarez R, J.T. [ININ, 52750, Ocoyoacac, Estado de Mexico (Mexico)]. e-mail: sandraplc_04@yahoo.com.mx
2006-07-01
A powder lot TLD-100 (LiF:Mg,Ti) in absorbed dose terms in water D{sub w} for the following radiation sources: {sup 60} Co, {sup 137} Cs and RX 50 and 250 k Vp is calibrated; to continuation is made a lineal interpolation of the TLD response in function of the effective energy of the sources to calibrate a source of {sup 192} Ir. The calibration of those fields in D{sub w} are carried out with aid of the Bragg-Gray cavity theory, the one which finds implicit in the following protocols: IAEA-TRS 398 for the {sup 60} Co and the AAPM TG61 for X Rays of 50 and 250 k Vp. Additionally the AAPM protocol TG43 to determine the D{sub w} in function of the kerma intensity S{sub k} in the case of the {sup 137} Cs is used. The calibration curves for the response of the TLD-100 R{sub TLD} vs D{sub w}, corresponding to each one of the sources already mentioned are constructed. The R{sub TLD} vs D{sub w} by least heavy square by means of a second order polynomial that corrects the supralineality of the response is adjusted. The curves are validated by lack of LOF adjustment and by the Anderson Darling normality test. Later the factors of sensitivity (F{sub s}) for the sources of {sup 192} Ir: Micro Selectron and Vari Source are interpolated, used respectively in the A and B hospitals for treatments of brachytherapy of high dose rate (HDR), the expanded uncertainties associated to the D{sub w} and F{sub s} are also determined. Finally, an acrylic phantom and a couple of capsules are already sent to the hospitals mentioned, to verify a nominal D{sub w} of 2 Gy, in a case an underestimate in 5.5% in the imparted D{sub w} and in other an overestimation in a range of -1.5 to -8.0% was obtained. The obtained results in this work establish the bases for the development of a national dosimetric quality control program for brachytherapy of HDR with sources of {sup 192} Ir. (Author)
Wu, Gang; Terskikh, Victor
2008-10-16
We report a multinuclear solid-state ( (23)Na, (39)K, (87)Rb, (133)Cs) NMR study of tetraphenylborate salts, M[BPh 4] (M = Na, K, Rb, Cs). These compounds are isostructural in the solid state with the alkali metal ion surrounded by four phenyl groups resulting in strong cation-pi interactions. From analyses of solid-state NMR spectra obtained under stationary and magic-angle spinning (MAS) conditions at 11.75 and 21.15 T, we have obtained the quadrupole coupling constants, C Q, and the chemical shift tensor parameters for the alkali metal ions in these compounds. We found that the observed quadrupole coupling constant for M (+) in M[BPh 4] is determined by a combination of nuclear quadrupole moment, Sternheimer antishielding factor, and unit cell dimensions. On the basis of a comparison between computed paramagnetic and diamagnetic contributions to the total chemical shielding values for commonly found cation-ligand interactions, we conclude that cation-pi interactions give rise to significantly lower paramagnetic shielding contributions than other cation-ligand interactions. As a result, highly negative chemical shifts are expected to be the NMR signature for cations interacting exclusively with pi systems.
Ward, Matthew D.; Pozzi, Eric A.; Van Duyne, Richard P.; Ibers, James A.
2014-04-01
The three solid-state indium/germanium selenides Cs4In8GeSe16, CsInSe2, and CsInGeSe4 have been synthesized at 1173 K. The structure of Cs4In8GeSe16 is a three-dimensional framework whereas those of CsInSe2 and CsInGeSe4 comprise sheets separated by Cs cations. Both Cs4In8GeSe16 and CsInGeSe4 display In/Ge disorder. From optical absorption measurements these compounds have band gaps of 2.20 and 2.32 eV, respectively. All three compounds are charge balanced.
Quantum States, Thermodynamic Limits and Entropy in M-Theory
Abdalla, Maria Christina B; Guimarães, M E X
2003-01-01
We discuss the matching of the BPS part of the spectrum for (super)membrane, which gives the possibility of getting membrane's results via string calculations. In the small coupling limit of M--theory the entropy of the system coincides with the standard entropy of type IIB string theory (including the logarithmic correction term). The thermodynamic behavior at large coupling constant is computed by considering M--theory on a manifold with topology ${\\mathbb T}^2\\times{\\mathbb R}^9$. We argue that the finite temperature partition functions (brane Laurent series for $p \
Thinking war in the 21st century: Introducing non-state actors in Just war theory
Noorda, H.A.
2016-01-01
“Thinking War in the 21st Century” develops a theory of war applicable to conflicts with non-state actors such as the “Islamic State”. Just war theory traditionally focuses on states as actors in war. This book moves beyond this narrow lens, arguing that active individual members of organized collec
Directory of Open Access Journals (Sweden)
S.M. Mahan
2004-11-01
Full Text Available White-tailed deer are susceptible to heartwater (Ehrlichia [Cowdria] ruminantium infection and are likely to suffer high mortality if the disease spreads to the United States. It is vital, therefore, to validate a highly specific and sensitive detection method for E. ruminantium infection that can be reliably used in testing white-tailed deer, which are reservoirs of antigenically or genetically related agents such as Ehrlichia chaffeensis, Anaplasma (Ehrlichia phagocytophilum (HGE agent and Ehrlichia ewingii. Recently, a novel but as yet unnamed ehrlichial species, the white-tailed deer ehrlichia (WTDE, has been discovered in deer populations in the United States. Although the significance of WTDE as a pathogen is unknown at present, it can be distinguished from other Ehrlichia spp. based on 16S rRNA gene sequence analysis. In this study it was differentiated from E. ruminantium by the use of the pCS20 PCR assay which has high specificity and sensitivity for the detection of E. ruminantium. This assay did not amplify DNA from the WTDE DNA samples isolated from deer resident in Florida, Georgia and Missouri, but amplified the specific 279 bp fragment from E. ruminantium DNA. The specificity of the pCS20 PCR assay for E. ruminantium was confirmed by Southern hybridization. Similarly, the 16S PCR primers (nested that amplify a specific 405-412 bp fragment from the WTDE DNA samples, did not amplify any product from E. ruminantium DNA. This result demonstrates that it would be possible to differentiate between E. ruminantium and the novel WTDE agent found in white tailed deer by applying the two respective PCR assays followed by Southern hybridizations. Since the pCS20 PCR assay also does not amplify any DNA products from E. chaffeensis or Ehrlichia canis DNA, it is therefore the method of choice for the detection of E. ruminantium in these deer and other animal hosts.
Rogachev, Andrey Yu.
2015-06-03
D5h star-like CsF5, formally isoelectronic with known XeF5− ion, is computed to be a local minimum on the potential energy surface of CsF5, surrounded by reasonably large activation energies for its exothermic decomposition to CsF+2 F2, or to CsF3 (three isomeric forms)+F2, or for rearrangement to a significantly more stable isomer, a classical Cs+ complex of F5−. Similarly the CsF2+ ion is computed to be metastable in two isomeric forms. In the more symmetrical structures of these molecules there is definite involvement in bonding of the formally core 5p levels of Cs.
Energy Technology Data Exchange (ETDEWEB)
Santos, Antonio Clementino dos
2004-03-15
Intensive land use and growing deforestation of the natural vegetation in Northeastern Brazil have contributed to the degradation of resources, particularly the decrease of soil fertility. As a result, biodiversity and ecosystem capacity to restore its resources after disturbances have been diminished. The decrease in soil fertility is more substantial in areas dominated by an undulating topography. In these areas, erosion is intensified when crops or pasture replaces natural vegetation. Even though degradation processes are reflected in environmental, social, and economical changes, there is a lack of information regarding the interrelationship between these changes and soil fertility and erosion. Thus, the 'Vaca Brava' watershed (14,04 km{sup 2}), located in the 'Agreste' region of Paraiba State, was selected to study the interrelationships between land use, landscape, particle size distribution, soil fertility and erosion using {sup 137} Cs redistribution. Small farms, where subsistence agriculture is intensive, are common in this watershed, as well as areas for environmental protection. A georreferenced survey of the watershed topography was initially carried out. Based on the survey data, the watershed was digitalized using a scale of 1:5000, and a 3-D map was created. Each landform element had its area determined on a area (absolute value) and percentage (relative value) basis. Shoulder, backslope and footslope positions represented 83% of the cultivated area in the watershed. A data base of 360 georreferenced soil samples (0-20 cm), collected using a stratified sampling scheme, was further created. Sites were stratified based on their landscape position (summit, shoulder, backslope, footslope, and toeslope) in factorial combination with land use (annual crops, pasture, Pennisetum purpureum, Mimosa caesalpiniae folia, bush fallow, and native forest). Physical analyses of the soil samples included particle size distribution and bulk density
Energy Technology Data Exchange (ETDEWEB)
Santos, Antonio Clementino dos
2004-03-15
Intensive land use and growing deforestation of the natural vegetation in Northeastern Brazil have contributed to the degradation of resources, particularly the decrease of soil fertility. As a result, biodiversity and ecosystem capacity to restore its resources after disturbances have been diminished. The decrease in soil fertility is more substantial in areas dominated by an undulating topography. In these areas, erosion is intensified when crops or pasture replaces natural vegetation. Even though degradation processes are reflected in environmental, social, and economical changes, there is a lack of information regarding the interrelationship between these changes and soil fertility and erosion. Thus, the 'Vaca Brava' watershed (14,04 km{sup 2}), located in the 'Agreste' region of Paraiba State, was selected to study the interrelationships between land use, landscape, particle size distribution, soil fertility and erosion using {sup 137} Cs redistribution. Small farms, where subsistence agriculture is intensive, are common in this watershed, as well as areas for environmental protection. A georreferenced survey of the watershed topography was initially carried out. Based on the survey data, the watershed was digitalized using a scale of 1:5000, and a 3-D map was created. Each landform element had its area determined on a area (absolute value) and percentage (relative value) basis. Shoulder, backslope and footslope positions represented 83% of the cultivated area in the watershed. A data base of 360 georreferenced soil samples (0-20 cm), collected using a stratified sampling scheme, was further created. Sites were stratified based on their landscape position (summit, shoulder, backslope, footslope, and toeslope) in factorial combination with land use (annual crops, pasture, Pennisetum purpureum, Mimosa caesalpiniae folia, bush fallow, and native forest). Physical analyses of the soil samples included particle size distribution and bulk density
THE CONCEPTUAL CONTENT OF STATE BUDGET PROCESS IN ECONOMIC THEORY
Žubule, Ērika; Puzule, Anita
2015-01-01
Evaluating the role of the budget in economy we may declare that the budget process should favour the social economic development of the state. The aim of the research is to explore and evaluate theoretical aspects of the state budget process as a component of the state financial policy and to work out proposals for improvement of the state budget process, based on the theoretical and empirical findings. The main objectives of the research were to study the foreign economic scientific literat...
Efimov Physics in a 6Li-133Cs Atomic Mixture
Johansen, Jacob; Feng, Lei; Parker, Colin; Chin, Cheng; Wang, Yujun
2015-05-01
We investigate Efimov physics based on three-body recombination in an atomic mixture of 6Li and 133Cs in the vicinity of interspecies Feshbach resonances at 843 and 889 G. This allows us to compare the loss spectra near different resonances and test the universality of Efimov states. Theoretically the Efimov spectrum near 889 G is expected to be similar to that near 843 G, except that the first resonance is absent near the former Feshbach resonance. This is due to the difference in the Cs-Cs scattering length near the two resonances: At 843 G it is negative, whereas at 889 G it is positive. Although it is primarily the Li-Cs interactions that lead to Efimov resonances, the Cs-Cs scattering length is expected to influence the spectrum. This work is supported by NSF and Chicago MRSEC.
Rusanov, Anatoly I
2004-07-22
A novel theory of an equation of state based on excluded volume and formulated in two preceding papers for gases and gaseous mixtures is extended to the entire density range by considering higher (beginning from the third) approximations of the theory. The algorithm of constructing higher approximations is elaborated. Equations of state are deduced using the requirement of maximum simplicity and contain a single free parameter to be chosen by reason of convenience or simplicity or to be used as a fitting parameter with respect to the computer simulation database. In this way, precise equations of state are derived for the hard-sphere fluid in the entire density range. On the side, the theory reproduces most known earlier equations of state for hard spheres and determines their place in the hierarchy of approximations. Equations of state for van der Waals fluids are also presented, and their critical parameters are estimated.
Balas, Mark J.; Thapa Magar, Kaman S.; Frost, Susan A.
2013-01-01
A theory called Adaptive Disturbance Tracking Control (ADTC) is introduced and used to track the Tip Speed Ratio (TSR) of 5 MW Horizontal Axis Wind Turbine (HAWT). Since ADTC theory requires wind speed information, a wind disturbance generator model is combined with lower order plant model to estimate the wind speed as well as partial states of the wind turbine. In this paper, we present a proof of stability and convergence of ADTC theory with lower order estimator and show that the state feedback can be adaptive.
On Physical States in c<1 String Theory
Govindarajan, S
1992-01-01
The BRST cohomology analysis of Lian and Zuckerman leads to physical states at all ghost number for $c<1$ matter coupled to Liouville gravity. We show how these states are related to states at ghost numbers zero(pure vertex operator states -- DK states) and ghost number one(ring elements) by means of descent equations. These descent equations follow from the double cohomology of the String BRST and Felder BRST operators. We briefly discuss how the ring elements allow one to determine all correlation functions on the sphere.
Luminescence and scintillation properties of Tl- and In-doped CsCl crystals
Sakai, Takumi; Koshimizu, Masanori; Fujimoto, Yutaka; Nakauchi, Daisuke; Yanagida, Takayuki; Asai, Keisuke
2017-06-01
Optical and scintillation properties of CsCl:Tl and CsCl:In single crystals were investigated. Ions Tl+ and In+ were selected as dopants to enhance the light yield of CsCl crystals. Luminescence and scintillation spectra of CsCl:Tl and CsCl:In could be attributed to the relaxed excited state (RES) originating from each dopant ion. The decay-time constants of the fast component had values of 5.4 ns for CsCl:Tl and 2.2 ns for CsCl:In, and can be ascribed to the overlapping of on-center STE and auger-free luminescence (AFL) for CsCl:Tl and only AFL for CsCl:In, respectively. Decay-time constants of the slow component were relatively long (220 ns for CsCl:Tl and 240 ns for CsCl:In), possibly owing to their low energy transfer rate from host to each dopant ion. The light yields of CsCl:1%Tl and CsCl:0.5%Tl were estimated to be 2800 and 2200 photons/MeV, respectively. The light yield of CsCl:0.5%In crystals was estimated to be 2200 photons/MeV. In conclusion, the light yield of pure CsCl (several ten photons/MeV) can be enhanced by doping Tl+ and In+ while maintaining the fast component of the CsCl crystal.
DEFF Research Database (Denmark)
Christensen, Henrik Bærbak; Caspersen, Michael Edelgaard
2002-01-01
point for introducing graphical user interface frameworks such as Java Swing and AWT as the students are not overwhelmed by all the details of such frameworks right away but given a conceptual road-map and practical experience that allow them to cope with the complexity.......In this paper we argue that introducing object-oriented frameworks as subject already in the CS1 curriculum is important if we are to train the programmers of tomorrow to become just as much software reusers as software producers. We present a simple, graphical, framework that we have successfully...
Sociocultural Theory and L2: State of the Art
Lantolf, James P.
2006-01-01
This article considers the implications of two central constructs of sociocultural theory (SCT) for second language (L2) development: mediation and internalization. It first discusses Vygotsky's general theoretical claim that human mental activity arises as a consequence of the functional system formed by our biologically specified mental…
Energy Technology Data Exchange (ETDEWEB)
Ward, Matthew D.; Pozzi, Eric A.; Van Duyne, Richard P.; Ibers, James A., E-mail: ibers@chem.northwestern.edu
2014-04-01
The three solid-state indium/germanium selenides Cs{sub 4}In{sub 8}GeSe{sub 16}, CsInSe{sub 2}, and CsInGeSe{sub 4} have been synthesized at 1173 K. The structure of Cs{sub 4}In{sub 8}GeSe{sub 16} is a three-dimensional framework whereas those of CsInSe{sub 2} and CsInGeSe{sub 4} comprise sheets separated by Cs cations. Both Cs{sub 4}In{sub 8}GeSe{sub 16} and CsInGeSe{sub 4} display In/Ge disorder. From optical absorption measurements these compounds have band gaps of 2.20 and 2.32 eV, respectively. All three compounds are charge balanced. - Graphical abstract: Structure of Cs{sub 4}In{sub 8}GeSe{sub 16}. - Highlights: • The solid-state In/Ge selenides Cs{sub 4}In{sub 8}GeSe{sub 16}, CsInSe{sub 2}, and CsInGeSe{sub 4} have been synthesized. • Both Cs{sub 4}In{sub 8}GeSe{sub 16} and CsInGeSe{sub 4} display In/Ge disorder. • Cs{sub 4}In{sub 8}GeSe{sub 16} and CsInGeSe{sub 4} have band gaps of 2.20 eV and 2.32 eV, respectively.
A General Theory of Additive State Space Abstractions
Yang, Fan; Holte, Robert; Zahavi, Uzi; Felner, Ariel; 10.1613/jair.2486
2011-01-01
Informally, a set of abstractions of a state space S is additive if the distance between any two states in S is always greater than or equal to the sum of the corresponding distances in the abstract spaces. The first known additive abstractions, called disjoint pattern databases, were experimentally demonstrated to produce state of the art performance on certain state spaces. However, previous applications were restricted to state spaces with special properties, which precludes disjoint pattern databases from being defined for several commonly used testbeds, such as Rubiks Cube, TopSpin and the Pancake puzzle. In this paper we give a general definition of additive abstractions that can be applied to any state space and prove that heuristics based on additive abstractions are consistent as well as admissible. We use this new definition to create additive abstractions for these testbeds and show experimentally that well chosen additive abstractions can reduce search time substantially for the (18,4)-TopSpin puz...
Sediment environmental capacity of 137Cs in Daya Bay
Institute of Scientific and Technical Information of China (English)
ZHANG Junli; CHEN Jiajun; XU Jialin; LI Yuanxin; HUANG Naiming
2007-01-01
Sediment environmental capacity of pollutants is very important for marine environmental management.Based on the methodology of a study on water,soil environmental capacity,and mass conservation theory in a system,the concept and model on sediment environmental capacity for 137Cs in Daya Bay were developed.The static capacity for 137Cs in the upper sediment near the shore at a shallow area was calculated,and the annual dynamic capacity and total dynamic capacity were also calculated through determination of the typical biomass in the sediment.The results showed that the estimated environmental capacity for 137Cs in sediments was approximately equal to the current input of 137Cs into the sediments.Controlling the input of 137Cs in the sediments within the environmental capacity guarantees the sustainability of the current situation of the Daya Bay ecosystem and avoidance of a significant degradation of the system.
The construction of optimal stated choice experiments theory and methods
Street, Deborah J
2007-01-01
The most comprehensive and applied discussion of stated choice experiment constructions available The Construction of Optimal Stated Choice Experiments provides an accessible introduction to the construction methods needed to create the best possible designs for use in modeling decision-making. Many aspects of the design of a generic stated choice experiment are independent of its area of application, and until now there has been no single book describing these constructions. This book begins with a brief description of the various areas where stated choice experiments are applicable, including marketing and health economics, transportation, environmental resource economics, and public welfare analysis. The authors focus on recent research results on the construction of optimal and near-optimal choice experiments and conclude with guidelines and insight on how to properly implement these results. Features of the book include: Construction of generic stated choice experiments for the estimation of main effects...
Theory of genuine tripartite nonlocality of Gaussian states.
Adesso, Gerardo; Piano, Samanta
2014-01-10
We investigate the genuine multipartite nonlocality of three-mode Gaussian states of continuous variable systems. For pure states, we present a simplified procedure to obtain the maximum violation of the Svetlichny inequality based on displaced parity measurements, and we analyze its interplay with genuine tripartite entanglement measured via Rényi-2 entropy. The maximum Svetlichny violation admits tight upper and lower bounds at fixed tripartite entanglement. For mixed states, no violation is possible when the purity falls below 0.86. We also explore a set of recently derived weaker inequalities for three-way nonlocality, finding violations for all tested pure states. Our results provide a strong signature for the nonclassical and nonlocal nature of Gaussian states despite their positive Wigner function, and lead to precise recipes for its experimental verification.
Atmospheric oxidation of carbon disulfide (CS2)
Zeng, Zhe; Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z.
2017-02-01
This contribution investigates primary steps governing the OH-initiated atmospheric oxidation of CS2. Our approach comprises high-level density functional theory calculation of energies and optimisation of molecular structures as well as RRKM-ME analysis for estimating pressure-dependent reaction rate constants. We find the overall reaction OH + CS2 → OCS + SH too slow to account for the formation of the reported experimental products. The initial reaction of OH with CS2 proceeds to produce an S-adduct, SCS(OH). Species-formation history for the system OH + CS2 indicates that, the S-adduct represents the most plausible product with a barrier-less addition process and a stability amounting to 48.5 kJ/mol, in reference to the separated reactants. This adduct then undergoes a bimolecular reaction with atmospheric O2 yielding OCS and HOSO, rather than dissociating back into its separated reactants. We also find that further atmospheric oxidation of the C-adduct (if formed) yields two of the major experimental products namely OCS and SO2. The kinetic analysis provided in this study explains the atmospheric fate of reduced sulfur species, an important S-bearing group in the global cycle of sulfur.
Matrix product states for Hamiltonian lattice gauge theories
Buyens, Boye; Haegeman, Jutho; Verstraete, Frank
2014-01-01
Over the last decade tensor network states (TNS) have emerged as a powerful tool for the study of quantum many body systems. The matrix product states (MPS) are one particular case of TNS and are used for the simulation of 1+1 dimensional systems. In [1] we considered the MPS formalism for the simulation of the Hamiltonian lattice gauge formulation of 1+1 dimensional one flavor quantum electrodynamics, also known as the massive Schwinger model. We deduced the ground state and lowest lying excitations. Furthermore, we performed a full quantum real-time simulation for a quench with a uniform background electric field. In this proceeding we continue our work on the Schwinger model. We demonstrate the advantage of working with gauge invariant MPS by comparing with MPS simulations on the full Hilbert space, that includes numerous non-physical gauge variant states. Furthermore, we compute the chiral condensate and recover the predicted UV-divergent behavior.
Solid-State Physics Introduction to the Theory
Patterson, James
2010-01-01
Learning Solid State Physics involves a certain degree of maturity, since it involves tying together diverse concepts from many areas of physics. The objective is to understand, in a basic way, how solid materials behave. To do this one needs both a good physical and mathematical background. One definition of Solid State Physics is it is the study of the physical (e.g. the electrical, dielectric, magnetic, elastic, and thermal) properties of solids in terms of basic physical laws. In one sense, Solid State Physics is more like chemistry than some other branches of physics because it focuses on common properties of large classes of materials. It is typical that Solid State Physics emphasizes how physics properties link to electronic structure. We have retained the term Solid Modern solid state physics came of age in the late thirties and forties and is now is part of condensed matter physics which includes liquids, soft materials, and non-crystalline solids. This solid state/condensed matter physics book begin...
Primitive ontology and quantum state in the GRW matter density theory
Egg, Matthias
2014-01-01
The paper explains in what sense the GRW matter density theory (GRWm) is a primitive ontology theory of quantum mechanics and why, thus conceived, the standard objections against the GRW formalism do not apply to GRWm. We consider the different options for conceiving the quantum state in GRWm and argue that dispositionalism is the most attractive one.
Matthews, P. H.
A survey of the history of linguistic theory concerning grammar in the United States traces the development of theory since 1910. It begins with a general historical review of American linguistics. The subsequent three chapters focus on grammar. The first of these deals with morphology, beginning with Leonard Bloomfield's ideas in both his early…
Matthews, P. H.
A survey of the history of linguistic theory concerning grammar in the United States traces the development of theory since 1910. It begins with a general historical review of American linguistics. The subsequent three chapters focus on grammar. The first of these deals with morphology, beginning with Leonard Bloomfield's ideas in both his early…
Quantum field theory and the internal states of elementary particles
CSIR Research Space (South Africa)
Greben, JM
2011-01-01
Full Text Available basic model considerably, we limit our- selves in this paper to the trivial Higgs solution, namely ` = 0. However, this also eliminates the Higgs param- eter ? from the model, so that it is unclear how this basic theory acquires a scale. The question... of the basic scale parameters in Nature has been considered in the context of cosmology elsewhere [2]. Interestingly, we flnd that for the light quarks general relativity has to be in- troduced to ensure the existence of the quarks, so that for this basic...
Smith, N; Heerema, Matt; Mallott, Chuch; King, R; Erskine, Craig
2009-01-01
Are you a web designer who is looking for a new and quicker way to prototype and create for the web? Perhaps you are a programmer who finds most design tools to be overkill for what you need to get done. Or, maybe you're an old Fireworks pro, who wants to keep up to date on the latest changes in Creative Suite 4. Either way, this book has something for you. * Coverage of all that's new and powerful for the Web designer and developer in Fireworks CS4* Targets developers who want design tools that don't get in their way and designers who want development tools that don't constrain their creativi
Decoy State Quantum Key Distribution: Theory and Practice
Zhao, Yi; Lo, Hoi-Kwong; Ma, Xiongfeng; Qi, Bing; Chen, Kai; Qian, Li
2007-03-01
Decoy state quantum key distribution (QKD) has been proposed as a novel approach to improve dramatically both the security and the performance of practical QKD set-ups. We proved its security, and proposed the first practical decoy state QKD protocols, including the one-decoy protocol, the weak+vacuum protocol, and the general two-decoy protocol. Our further study shows that the two-way communication can effectively improve the performance of decoy state QKD. We performed the first experiments of decoy state QKD. Two protocols -- the one-decoy protocol and the weak+vacuum protocol -- were implemented with a maximum transmission distance of 60km. We implemented the decoy state method by adding commercial acousto-optic modulator to a commercial QKD system. Our theoretical and experimental studies show explicitly the power and the feasibility of decoy method, and brings it to our real- life. Our works are published in [1-5]. [1] H. -K. Lo, X. Ma, and K. Chen, Phys. Rev. Lett. 94 230504 (2005) [2] X. Ma et. al., Phys. Rev. A 72, 012326 (2005) [3] Y. Zhao et. al., Phys. Rev. Lett., 96, 070502 (2006) [4] Y. Zhao et. al., in Proceedings of IEEE ISIT (IEEE, 2006) pp. 2094-2098 [5] X. Ma et. al., Phys. Rev. A 74, 032330 (2006)
Sudolská, Mária; Cantrel, Laurent; Cernušák, Ivan
2014-04-01
Structure and thermodynamic properties (standard enthalpies of formation and Gibbs free energies) of hydrated caesium species of nuclear safety interest, Cs, CsOH, CsI and its dimer Cs₂I₂, with one up to three water molecules, are calculated to assess their possible existence in severe accident occurring to a pressurized water reactor. The calculations were performed using the coupled cluster theory including single, double and non-iterative triple substitutions (CCSD(T)) in conjunction with the basis sets (ANO-RCC) developed for scalar relativistic calculations. The second-order spin-free Douglas-Kroll-Hess Hamiltonian was used to account for the scalar relativistic effects. Thermodynamic properties obtained by these correlated ab initio calculations (entropies and thermal capacities at constant pressure as a function of temperature) are used in nuclear accident simulations using ASTEC/SOPHAEROS software. Interaction energies, standard enthalpies and Gibbs free energies of successive water molecules addition determine the ordering of the complexes. CsOH forms the most hydrated stable complexes followed by CsI, Cs₂I₂, and Cs. CsOH still exists in steam atmosphere even at quite high temperature, up to around 1100 K.
A Proposal for the Vector State in Vacuum String Field Theory
Rashkov, R; Rashkov, Radoslav
2002-01-01
A previous calculation on the tachyon state arising as fluctuations of a $D$ brane in vacuum string field theory is extended to include the vector state. We use the boundary conformal field theory approach of Rastelli, Sen and Zwiebach to construct a vector state. It is shown that the vector field satisfies the linearized equations of motion provided the two conditions $k^2=0$ and $k^\\mu A_\\mu=0$ are satisfied. Earlier calculations using Fock space techniques by Hata and Kawano have found massless vector states that are not necessarily transverse.
Ground state properties of graphene in Hartree-Fock theory
Hainzl, Christian; Sparber, Christof
2012-01-01
We study the Hartree-Fock approximation of graphene in infinite volume, with instantaneous Coulomb interactions. First we construct its translation-invariant ground state and we recover the well-known fact that, due to the exchange term, the effective Fermi velocity is logarithmically divergent at zero momentum. In a second step we prove the existence of a ground state in the presence of local defects and we discuss some properties of the linear response to an external electric field. All our results are non perturbative.
Computational approach for calculating bound states in quantum field theory
Lv, Q. Z.; Norris, S.; Brennan, R.; Stefanovich, E.; Su, Q.; Grobe, R.
2016-09-01
We propose a nonperturbative approach to calculate bound-state energies and wave functions for quantum field theoretical models. It is based on the direct diagonalization of the corresponding quantum field theoretical Hamiltonian in an effectively discretized and truncated Hilbert space. We illustrate this approach for a Yukawa-like interaction between fermions and bosons in one spatial dimension and show where it agrees with the traditional method based on the potential picture and where it deviates due to recoil and radiative corrections. This method permits us also to obtain some insight into the spatial characteristics of the distribution of the fermions in the ground state, such as the bremsstrahlung-induced widening.
"Young" Lukács: tragic, utopian and romantic?
Directory of Open Access Journals (Sweden)
Ester Vaisman
Full Text Available Given the controversial character of "Young" Lukács' intellectual course, especially in what concerns the works Soul and Form and The theory of the novel, the main purpose of the present paper is to outline Lukács' course in his youth phase, based on his own texts and statements, aiming at questioning certain characteristics attributed to this important period of his intellectual production.
Positively and Negatively Charged Cesium and (C60) m Cs n Cluster Ions.
Renzler, Michael; Kranabetter, Lorenz; Goulart, Marcelo; Scheier, Paul; Echt, Olof
2017-05-25
We report on the formation and ionization of cesium and C60Cs clusters in superfluid helium nanodroplets. Size distributions of positively and negatively charged (C60) m Cs n(±) ions have been measured for m ≤ 7, n ≤ 12. Reproducible intensity anomalies are observed in high-resolution mass spectra. For both charge states, (C60) m Cs3(±) and (C60) m Cs5(±) are particularly abundant, with little dependence on the value of m. Distributions of bare cesium cluster ions also indicate enhanced stability of Cs3(±) and Cs5(±), in agreement with theoretical predictions. These findings contrast with earlier reports on highly Cs-doped cationic fullerene aggregates which showed enhanced stability of C60Cs6 building blocks attributed to charge transfer. The dependence of the (C60) m Cs3(-) anion yield on electron energy shows a resonance that, surprisingly, oscillates in strength as m increases from 1 to 6.
Emergence of Bulk CsCl Structure in $(CsCl)_{n}Cs^{+}$ Cluster Ions
Aguado, A
2000-01-01
The emergence of CsCl bulk structure in (CsCl)nCs+ cluster ions is investigated using a mixed quantum-mechanical/semiempirical theoretical approach. We find that rhombic dodecahedral fragments (with bulk CsCl symmetry) are more stable than rock-salt fragments after the completion of the fifth rhombic dodecahedral atomic shell. From this size (n=184) on, a new set of magic numbers should appear in the experimental mass spectra. We also propose another experimental test for this transition, which explicitely involves the electronic structure of the cluster. Finally, we perform more detailed calculations in the size range n=31--33, where recent experimental investigations have found indications of the presence of rhombic dodecahedral (CsCl)32Cs+ isomers in the cluster beams.
Dalgarno-Lewis perturbation theory for scattering states
Energy Technology Data Exchange (ETDEWEB)
Amore, Paolo [Facultad de Ciencias, Universidad de Colima, Bernal Diaz del Castillo 340, Colima, Colima Mexico (Mexico)]. E-mail: paolo@ucol.mx; Fernandez, Francisco M. [INIFTA (Conicet, UNLP), Division Quimica Teorica, Diag. 113 y 64 S/N, Sucursal 4, Casilla de Correo 16, 1900 La Plata (Argentina)]. E-mail: fernande@quimica.unlp.edu.ar
2007-07-23
We apply the method of Dalgarno and Lewis to scattering states and discuss the choice of the unperturbed model in order to have a convergent perturbation series for the phase shift. We show that a recently proposed approach is a particular case of the method of Dalgarno and Lewis.
Quantum information theory of the Bell-state quantum eraser
Glick, Jennifer R.; Adami, Christoph
2017-01-01
Quantum systems can display particle- or wavelike properties, depending on the type of measurement that is performed on them. The Bell-state quantum eraser is an experiment that brings the duality to the forefront, as a single measurement can retroactively be made to measure particlelike or wavelike properties (or anything in between). Here we develop a unitary information-theoretic description of this and several related quantum measurement situations that sheds light on the trade-off between the quantum and classical features of the measurement. In particular, we show that both the coherence of the quantum state and the classical information obtained from it can be described using only quantum-information-theoretic tools and that those two measures satisfy an equality on account of the chain rule for entropies. The coherence information and the which-path information have simple interpretations in terms of state preparation and state determination and suggest ways to account for the relationship between the classical and the quantum world.
Unified State Model theory and application in astrodynamics
Vittaldev, V.; Mooij, E.; Naeije, M.C.
2012-01-01
The Unified State Model is a method for expressing orbits using a set of seven elements. The elements consist of a quaternion and three parameters based on the velocity hodograph. A complete derivation of the original model is given in addition to two proposed modifications. Both modifications reduc
On the Ground State Wave Function of Matrix Theory
Lin, Ying-Hsuan
2014-01-01
We propose an explicit construction of the leading terms in the asymptotic expansion of the ground state wave function of BFSS SU(N) matrix quantum mechanics. Our proposal is consistent with the expected factorization property in various limits of the Coulomb branch, and involves a different scaling behavior from previous suggestions. We comment on some possible physical implications.
On the ground state wave function of matrix theory
Lin, Ying-Hsuan; Yin, Xi
2015-11-01
We propose an explicit construction of the leading terms in the asymptotic expansion of the ground state wave function of BFSS SU( N ) matrix quantum mechanics. Our proposal is consistent with the expected factorization property in various limits of the Coulomb branch, and involves a different scaling behavior from previous suggestions. We comment on some possible physical implications.
G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach
Wang, H.
2014-05-13
Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of CiCs defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.
Primate theory of mind: a state of the art review
DEFF Research Database (Denmark)
Byrnit, Jill
2006-01-01
Såvel mennesket som andre primater have store hjerner med store hjernebarker. Det er blevet foreslået, at primaters store hjerner skyldes de komplekse sociale krav, der kommer af at skulle leve i store grupper. Inden for de sidste 40 år er der blevet lavet meget forskning inden for primaters socio......-cognitive evner og siden Premack & Woodruff (1978) for første gang introducerede begrebet "theory of mind", er der blevet foretaget mange laboratorie-forsøg om mennesker og andre primaters evne til at attribuere mentale tilstande til andre. I nærværende artikel er størstedelen af disse forsøg med andre primater...
Toward reconstruction of relative state formulation of quantum theory
Kurita, Y
2004-01-01
In quantum theory, it is widely accepted that all experimental results must agree with theoretical predictions based on the Copenhagen interpretation. However the classical system in the Copenhagen interpretation has not been defined yet. On the other hand, although ongoing research of decoherence is trying to elucidate the emergence of the classical world, it cannot answer why we observe one of eigenstates in observed system. These situations show that the relation between what we observe and physical law has not been elucidated. Here I elucidate the relation by developing Everett's suggestion. Further, from this point of view, I point out that today's brain science falls into circular argument because it is trying to assign what we observe in the brain to process of the subjective perception, and I suggest the future research line in brain science.
Classification of the BPS states in Bagger-Lambert Theory
Jeon, Imtak; Kim, Nakwoo; Kim, Sang-Woo; Park, Jeong-Hyuck
2008-01-01
We classify, in a group theoretical manner, the BPS configurations in the multiple M2-brane theory recently proposed by Bagger and Lambert. We present three types of BPS equations preserving various fractions of dynamical supersymmetries: in the first type we have constant fields and the interactions are purely algebraic in nature; in the second type the equations are invariant under spatial rotation SO(2), and the fields can be time-dependent; in the third class the equations are invariant under boost SO(1,1) and provide the 11 dimensional generalizations of the Nahm equations. The BPS equations for different number of supersymmetries exhibit the division algebra structures: octonion, quarternion or complex.
UNIVERSAL THEORY OF STEADY-STATE ONE-DIMENSIONAL PHOTOREFRACTIVE SOLITONS
Institute of Scientific and Technical Information of China (English)
刘劲松
2001-01-01
A universal theory of steady-state one-dimensional photorefractive spatial solitons is developed which applies to the steady-state one-dimensional photorefractive solitons under various realizations, including the screening solitons in a biased photorefractive medium, the photovoltaic solitons in open- and closed-circuit photovoltaic-photorefractive media and the screening-photovoltaic solitons in biased photovoltaic-photorefractive media. Previous theories advanced individually elsewhere for these solitons can be obtained by simplifying the universal theory under the appropriate conditions.
F-theory compactifications and central charges of BPS-states
Obikhod, Tetiana V
2016-01-01
F-theory, as Theory of Everything is compactified on Calabi-Yau threefolds or fourfolds. Using toric approximation of Batyrev and mirror symmetry of Calabi-Yau manifolds it is possible to present Calabi-Yau in the form of dual integer polyhedra. With the help of Gelfand, Zelevinsky, Kapranov algorithm were calculated the numbers of BPS-states in F-theory, and by application of Tate algorithm were determined the enhanced symmetries. As the result, any integral dual polyhedron representing a Calabi-Yau manifold, is characterized by its own set of topological invariants - the numbers of BPS states, whose central charges are classified by enhanced symmetries.
Distribution of local density of states in superstatistical random matrix theory
Energy Technology Data Exchange (ETDEWEB)
Abul-Magd, A.Y. [Department of Mathematics, Faculty of Science, Zagazig University, Zagazig (Egypt)]. E-mail: a_y_abul_magd@hotmail.com
2007-07-02
We expose an interesting connection between the distribution of local spectral density of states arising in the theory of disordered systems and the notion of superstatistics introduced by Beck and Cohen and recently incorporated in random matrix theory. The latter represents the matrix-element joint probability density function as an average of the corresponding quantity in the standard random-matrix theory over a distribution of level densities. We show that this distribution is in reasonable agreement with the numerical calculation for a disordered wire, which suggests to use the results of theory of disordered conductors in estimating the parameter distribution of the superstatistical random-matrix ensemble.
Jain states in a matrix theory of the quantum Hall effect
Energy Technology Data Exchange (ETDEWEB)
Cappelli, Andrea [I.N.F.N. and Dipartimento di Fisica, Via G. Sansone 1, 50019 Sesto Fiorentino, Florence (Italy); Rodriguez, Ivan D. [I.N.F.N. and Dipartimento di Fisica, Via G. Sansone 1, 50019 Sesto Fiorentino, Florence (Italy)
2006-12-15
The U(N) Maxwell-Chern-Simons matrix gauge theory is proposed as an extension of Susskind's noncommutative approach. The theory describes D0-branes, nonrelativistic particles with matrix coordinates and gauge symmetry, that realize a matrix generalization of the quantum Hall effect. Matrix ground states obtained by suitable projections of higher Landau levels are found to be in one-to-one correspondence with the expected Laughlin and Jain hierarchical states. The Jain composite-fermion construction follows by gauge invariance via the Gauss law constraint. In the limit of commuting, 'normal' matrices the theory reduces to eigenvalue coordinates that describe realistic electrons with Calogero interaction. The Maxwell-Chern-Simons matrix theory improves earlier noncommutative approaches and could provide another effective theory of the fractional Hall effect.
Energy Technology Data Exchange (ETDEWEB)
Andrello, Avacir Casanova
1997-12-31
The measurement of {sup 137} Cs redistribution in the field allows the determination of soil erosion/accumulation. The {sup 137} Cs activity of soil samples, taken from a small basin at the North of Parana, were measured employing a HPGe gamma ray detector and a standard spectrometric nuclear electronic chain. Standard oil samples with known concentrations of {sup 137} Cs were prepared for the detection efficiency determination. Soil loss or gain was measured at the top, midslope and low slope regions, for six different transects at the investigated small basin. (author) 47 refs., 31 figs., 11 tabs.
DEFF Research Database (Denmark)
Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.;
2008-01-01
Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...... moments are computed using the same geometries (MP2/6-31G*) and basis set (TZVP) as in our previous ab initio benchmark study on electronically excited states. The results from TD-DFT (with the functionals BP86, B3LYP, and BHLYP) and from DFT/MRCI are compared against the previous high-level ab initio...
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Byrd, Jason N.; Rishi, Varun; Perera, Ajith; Bartlett, Rodney J.
2015-10-01
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order Møller-Plesset partitioning of the Hamiltonian is used to obtain the well known equation-of-motion many-body perturbation theory equations and two new equation-of-motion methods based on the linear coupled-cluster doubles and linear coupled-cluster singles and doubles wavefunctions. These new methods are benchmarked against very accurate theoretical and experimental spectra from 25 small organic molecules. It is found that the proposed methods have excellent agreement with canonical equation-of-motion coupled-cluster singles and doubles state for state orderings and relative excited state energies as well as acceptable quantitative agreement for absolute excitation energies compared with the best estimate theory and experimental spectra.
Universal aspects in the equation of state for Yang-Mills theories
Nada, Alessandro
2015-01-01
We present high-precision lattice calculations of the thermodynamics of Yang-Mills theories with different gauge groups. In the confining phase, we show that the equation of state is described remarkably well by a gas of massive, non-interacting glueballs, provided that an effective bosonic closed-string model is used to derive an exponentially growing Hagedorn spectrum for the heavy states. In particular, this model describes very accurately the results for the SU(3) theory reported by Bors\\'anyi et al. in JHEP 07 (2012) 056, as well as a novel set of lattice data for the SU(2) theory. In addition, we also also show that the equation of state in the deconfined phase exhibits a near perfect proportionality to the number of gluon degrees of freedom, including for the Yang-Mills theory based on the exceptional, center-less gauge group $G_2$.
Energy Technology Data Exchange (ETDEWEB)
Leal, B.; Mireles, F.; Quirino, L.; Davila, I.; Ramirez, F. [UAZ, A.P. 579C, 98068 Zacatecas (Mexico)
2003-07-01
The necessity to report the changes in the contained radionuclides in the terrestrial crust, or those deposited by the atomic tests around the world, becomes clear when observing the use of material of waste of those mines. With the purpose of quantifying the concentration in activity its were meet a series of waste samples in mines of the municipalities of Zacatecas, Fresnillo, Guadalupe and Veta Grande of the state of Zacatecas, Mexico. The analysis was carried out by gamma spectrometry with a HPGe detector with a resolution of 1.9 keV corresponding to an energy of 1.33 MeV calibrated in efficiency and energy by means of a certified standard multi nuclide in activity with identical geometry to that of the samples. The times of count are of 80000 seconds, with the purpose of to reduce the relative uncertainties and to define well the interest regions. The activity of {sup 226} Ra and {sup 232} Th is obtained through the one {sup 214} Bi and {sup 228} Ac respectively, the concentration was also measured in activity of the one {sup 40} K and the {sup 137} Cs in units of Bq kg{sup -1}. (Author)
Modelling excited states of weakly bound complexes with density functional theory.
Briggs, Edward A; Besley, Nicholas A
2014-07-28
The binding within the ethene-argon and formaldehyde-methane complexes in the ground and electronically excited states is studied with equation of motion coupled cluster theory (EOM-CCSD), second-order Møller-Plesset perturbation theory (MP2) and density functional theory with dispersion corrections (DFT-D). Electronically excited states are studied within MP2 and Kohn-Sham DFT formalisms by exploiting a procedure called the maximum overlap method that allows convergence of the relevant self-consistent field equations to higher energy (or excited state) solutions. Potential energy curves computed using MP2 are in good agreement with the EOM-CCSD calculations for both the valence and Rydberg excited states studied. For the DFT-D approach, B3LYP-D3/aug-cc-pVTZ calculations are found to be in agreement with EOM-CCSD for the ground and valence excited states. However, for the π3s Rydberg state of ethene-argon and the n3s Rydberg state of formaldehyde-methane significant deviation is observed, and this disagreement with EOM-CCSD is present for a variety of DFT-D based approaches. Variation of the parameters within the D2 dispersion correction results in closer agreement with EOM-CCSD for the Rydberg states but demonstrates that a different parameterisation from the ground state is required for these states. This indicates that time-dependent density functional theory calculations based upon a DFT-D reference may be satisfactory for excitations to valence states, but will potentially be inaccurate for excitations to Rydberg states, or more generally states where the nature of the electron density is significantly different from the ground state.
Observation of new satellites in Cs-Ar system using resonance ionization spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Nayfeh, M.H.; Hurst, G.S.; Payne, M.G.; Young, J.P.
1978-07-31
The absorption line shape of Cs-Ar system is recorded using two-photon ionization of the system with Cs(7P) as an intermediate state. New satellite structures in the wings of Cs(7P) are observed which were not resolved in previous absorption measurements. Also the absolute absorption cross section in the blue wing is measured.
Chiral Rings and Physical States in c<1 String Theory
Govindarajan, S; John, V
1993-01-01
We show how the double cohomology of the String and Felder BRST charges naturally leads to the ring structure of $c<1$ strings. The chiral ring is a ring of polynomials in two variables modulo an equivalence relation of the form $x^p \\simeq y^{p+1}$ for the (p+1,p) model. We also study the states corresponding to the edges of the conformal grid whose inclusion is crucial for the closure of the ring. We introduce candidate operators that correspond to the observables of the matrix models. Their existence is motivated by the relation of one of the screening operators of the minimal model to the zero momentum dilaton.
Scanning photoelectron microscopy of high-temperature-Cs{sub x}C{sub 68}
Energy Technology Data Exchange (ETDEWEB)
Weippert, Juergen; Ulas, Seyithan; Boettcher, Artur [Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany); Malik, Sharali [Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen (Germany); Amati, Matteo; Gregoratti, Luca; Kiskinova, Maya [ESCA microscopy beamline Elettra - Sincrotrone Trieste, ScPA Area Science Park, Basovizza-Trieste (Italy)
2015-07-01
Surface morphology of the non-IPR fulleride Cs{sub x}C{sub 68} grown via co-depositing Cs and mass-selected C{sub 68}{sup +} in UHV has been studied by scanning photoelectron microscopy (Escamicroscopy). Cs{sub x}C{sub 68} survives heating up to T* ∼ 1000 K and shows a high thermal stability (related IPR fullerides: decomp. ∼ 800 K). The C1s- and Cs4d-based images revealed Cs-rich islands as striking species surrounded by planar Cs-poor areas. The islands are created by thermally activated segregation of Cs atoms emerging from the subsurface region. Whereas C1s and Cs4d XP spectra taken from the Cs-poor regions show ionic bonds stabilizing the Cs{sub x}{sup +a}C{sub 68}{sup -b} compound the chemical state of the elements constituting the Cs-rich islands has no comparable examples in the literature of -C-Cs bonds. The islands are photoactive: Initially Cs4d band exhibits four components (69-81 eV), and C1s band consists of two components (281-286 eV). This structure evolves under illumination (hv ∼ 500 eV) towards the pattern of ionic -C-Cs bonds.
Williams, Robert F.
1993-01-01
Argues that a complete and accurate understanding of constitutional history and constitutional law requires the study of state constitutions. Maintains that state constitutions contain a coherent political theory that is, in important respects, at variance with the concept of federalism. (CFR)
Magnetic edge states in MoS2 characterized using density-functional theory
DEFF Research Database (Denmark)
Vojvodic, Aleksandra; Hinnemann, B.; Nørskov, Jens Kehlet
2009-01-01
It is known that the edges of a two-dimensional slab of insulating MoS2 exhibit one-dimensional metallic edge states, the so-called "brim states." Here, we find from density-functional theory calculations that several edge structures, which are relevant for the hydrodesulfurization process, are m...
Jin, Rui-Bo; Zhao, Pei; Deng, Peigang; Wu, Qing-Lin
2016-12-01
Significant successes have recently been reported in the study of the generation of a spectrally pure state in group-velocity-matched (GVM) nonlinear crystals. However, the GVM condition can be realized only in limited kinds of crystals and at limited wavelengths. Here, we investigate pure-state generation in the isomorphs of the PPKTP crystal: i.e., periodically poled RTP, KTA, RTA, and CTA crystals. By numerical simulation, we find that these crystals from the KTP family can generate pure photons with high spectral purity (over 0.8), wide tunability (more than 400 nm), and reasonable nonlinearity at a variety of wavelengths (from 1300 to 2100 nm). It is also discovered that the PPCTA crystal may achieve a purity of 0.97 at 1506 nm. This study may provide more and better choices for quantum-state engineering at telecom wavelengths.
Topological charges in 2d N=(2,2) theories and massive BPS states
Park, Daniel S
2015-01-01
We study how charges of global symmetries that are manifest in the ultra-violet definition of a theory are realized as topological charges in its infra-red effective theory for two-dimensional theories with $\\mathcal{N}=(2,2)$ supersymmetry. We focus on the charges that the states living on $S^1$ carry. The central charge---or BPS masses---of the supersymmetry algebra play a crucial role in making this correspondence precise. We study two examples: $U(1)$ gauge theories with chiral matter, and world-volume theories of "dynamical surface operators" of 4d $\\mathcal{N}=2$ gauge theories. In the former example, we show that the flavor charges of the theory are realized as topological winding numbers in the effective theory on the Coulomb branch. In the latter, we show that there is a one-to-one correspondence between topological charges of the effective theory of the dynamical surface operator and the electric, magnetic, and flavor charges of the 4d gauge theory. We also examine the topologically charged massive ...
Olvera-Neria, Oscar; Bertin, Virineya; Poulain, Enrique
2010-12-28
Nitrous oxide (N(2)O) is an intermediate compound formed during catalysis occurring in automobile exhaust pipes. Atomic Au in its ground state is unable to react with N(2)O, however, several Au excited states are bound to N(2)O, but not all of these states are able to activate N(2)O bonds. In this work, N(2)O capture and activation by a single Au atom are studied considering Au in the ground and excited states with multiplicities = 2, 4 and 6. The Au + N(2)O reactions are studied at multireference second-order perturbation level of theory using C(s) symmetry. The AuN(2)O ((4)A', (4)A'', (6)A' and (6)A'') adducts are spontaneously created from Au excited states. From these complexes, only the (4)A', (6)A' and (6)A'' states exhibit N(2)O activation reaction paths yielding N(2,) NO and O atoms as end products when N(2)O approaches Au excited states side-on. Cations both ground and excited states, capture N(2)O although only the Au(+) ((5)A') + N(2)O ((1)Σ(+)) → NAuNO(+) ((5)A') reaction (for the end-on and side-on approaches) shows N(2)O activation with N-N bond breaking. In the case of Au anions, the ground state and most of the excited states capture N(2)O and activation takes place according to Au(-) ((3)A', (5)A', (5)A'') + N(2)O ((1)Σ(+)) → AuO(-) ((3)A', (5)A', (5)A'') + N(2)(g) for the N(2)O end-on approach by the oxygen atom. The reaction paths show a metal-gas dative covalent bonding character. Mulliken charge population analysis obtained for the active states shows that the binding is done through charge donation and retro-donation between the metal and the N(2)O molecule.
On the stability of KMS states in perturbative algebraic quantum field theories
Drago, Nicolo; Pinamonti, Nicola
2016-01-01
We analyze the stability properties shown by KMS states for interacting massive scalar fields propagating over Minkowski spacetime, recently constructed in the framework of perturbative algebraic quantum field theories by Fredenhagen and Lindner \\cite{FredenhagenLindner}. In particular, we prove the validity of the return to equilibrium property when the interaction Lagrangean has compact spatial support. Surprisingly, this does not hold anymore, if the adiabatic limit is considered, namely when the interaction Lagrangean is invariant under spatial translations. Consequently, an equilibrium state under the adiabatic limit for a perturbative interacting theory evolved with the free dynamics does not converge anymore to the free equilibrium state. Actually, we show that its ergodic mean converges to a non equilibrium steady state for the free theory.
Theoretical prediction of half metallic ferromagnetic full-Heusler alloys Cs2CrGe
Cherid, S.; Benstaali, W.; Abbad, A.; Bentata, S.; Lantri, T.; Abbar, B.
2017-07-01
The structural, electronic and elastic properties of full-Heusler alloys Cs2CrGe are examined in this study using FP-LAPW method based on density functional theory. Results of our calculations predict that the Hg2CuTi-type structure is more stable than the Cu2MnAl-type structure and that the ground state of this alloy is ferromagnetic. The band structure of Cs2CrGe shows half metallic behavior for the two approaches GGA and mBJ-GGA with an indirect band gap. The total magnetic moment calculated is in good agreement with the Slater-Pauling rule for full-Heusler alloys with an important magnetic moment equal to 4 μB. Elastic properties indicate that our compound is ductile, anisotropic and not too rigid.
Effective Field Theory Description of Two-Body Resonance States
Balalhabashi, Jaber
2017-01-01
The quantum-mechanical scattering of two particles around a resonance state appears in many areas of physics, for example in cold atoms near narrow, low-lying Feshbach resonances. We construct) an EFT that describes such scattering with contact, derivative interactions. We demonstrate that a careful choice of leading- and next-to-leading-order terms in an effective Lagrangian gives rise to a systematic expansion of the T matrix around the resonance, with controlled error estimates. We compare phase shifts and pole positions with those of a toy model. We are extending our EFT to include Coulomb interactions with the goal of describing nuclear resonances, such as those appearing in the scattering of alpha particles. This material is based upon work supported in part by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Award Number DE-FG02-04ER41338.
Steady-State Density Functional Theory for Non-equilibrium Quantum Systems
Shuanglong, Liu
Recently, electron transport properties of molecular junctions under finite bias voltages have attracted a lot of attention because of the potential application of molecular electronic devices. When a molecular junction is under zero bias voltage at zero temperature, it is in equilibrium ground state and all its properties can be solved by ground-state density functional theory (GS-DFT) where ground-state electron density determines everything. Under finite bias voltage, the molecular junction is in non-equilibrium steady state. According to Hershfield's non-equilibrium statistics, a system in non-equilibrium steady state corresponds to an effective equilibrium system. This correspondence provides the basis for the steady-state density functional theory (SS-DFT) which will be developed in this thesis. (Abstract shortened by UMI.).
McNeal, Larry; Christy, W. Keith
This brief paper is a presentation that preceeded another case of considering the ongoing dialogue on the advantages and disadvantages of centralized and decentralized school-improvement processes. It attempts to raise a number of questions about the relationship between state-designed standards and accountability initiatives and change and…
Micromechanical aspects of deformation theories based on a state variable formulation
Energy Technology Data Exchange (ETDEWEB)
Hannula, S.P.; Korhonen, M.A.; Li, C.Y.
1984-01-01
A review of the development of a state variable approach is presented emphasizing its micromechanical basis. The physical significance of the parameters and constitutive equations of the state variable formulation is examined. The aspects of the state variable model that are important in future theoretical development are outlined and its connections to existing theories of flow stress as well as to relations found between the flow stress and microstructure are briefly discussed.
Bounds for State Degeneracies in 2D Conformal Field Theory
Hellerman, Simeon
2010-01-01
In this note we explore the application of modular invariance in 2-dimensional CFT to derive universal bounds for quantities describing certain state degeneracies, such as the thermodynamic entropy, or the number of marginal operators. We show that the entropy at inverse temperature 2 pi satisfies a universal lower bound, and we enumerate the principal obstacles to deriving upper bounds on entropies or quantum mechanical degeneracies for fully general CFTs. We then restrict our attention to infrared stable CFT with moderately low central charge, in addition to the usual assumptions of modular invariance, unitarity and discrete operator spectrum. For CFT in the range c_left + c_right < 48 with no relevant operators, we are able to prove an upper bound on the thermodynamic entropy at inverse temperature 2 pi. Under the same conditions we also prove that a CFT can have a number of marginal deformations no greater than ((c_left + c_right) / (48 - c_left - c_right)) e^(4 Pi) - 2.
Jump Markov models and transition state theory: the quasi-stationary distribution approach.
Di Gesù, Giacomo; Lelièvre, Tony; Le Peutrec, Dorian; Nectoux, Boris
2016-12-22
We are interested in the connection between a metastable continuous state space Markov process (satisfying e.g. the Langevin or overdamped Langevin equation) and a jump Markov process in a discrete state space. More precisely, we use the notion of quasi-stationary distribution within a metastable state for the continuous state space Markov process to parametrize the exit event from the state. This approach is useful to analyze and justify methods which use the jump Markov process underlying a metastable dynamics as a support to efficiently sample the state-to-state dynamics (accelerated dynamics techniques). Moreover, it is possible by this approach to quantify the error on the exit event when the parametrization of the jump Markov model is based on the Eyring-Kramers formula. This therefore provides a mathematical framework to justify the use of transition state theory and the Eyring-Kramers formula to build kinetic Monte Carlo or Markov state models.
Jump Markov models and transition state theory: the Quasi-Stationary Distribution approach
Di Gesù, Giacomo; Peutrec, Dorian Le; Nectoux, Boris
2016-01-01
We are interested in the connection between a metastable continuous state space Markov process (satisfying e.g. the Langevin or overdamped Langevin equation) and a jump Markov process in a discrete state space. More precisely, we use the notion of quasi-stationary distribution within a metastable state for the continuous state space Markov process to parametrize the exit event from the state. This approach is useful to analyze and justify methods which use the jump Markov process underlying a metastable dynamics as a support to efficiently sample the state-to-state dynamics (accelerated dynamics techniques). Moreover, it is possible by this approach to quantify the error on the exit event when the parametrization of the jump Markov model is based on the Eyring-Kramers formula. This therefore provides a mathematical framework to justify the use of transition state theory and the Eyring-Kramers formula to build kinetic Monte Carlo or Markov state models.
Dreamweaver CS5 digital classroom
Osborn, Jeremy; Heald, Greg
2013-01-01
Learning Dreamweaver is a dream with this instructional book-and-video training package! Dreamweaver CS5 Digital Classroom covers Dreamweaver CS5 and Dreamweaver CS5.5. Adobe Dreamweaver allows you to easily create robust Web sites without needing extensive programming knowledge or skills. The latest version of Dreamweaver boasts enhanced capabilities and this exciting book-and-downloadable video training package makes learning the new features of Dreamweaver less intimidating. Sixteen self-paced lessons explain how to design, develop, and maintain a fully functioning si
Bao, Junwei Lucas; Zheng, Jingjing; Truhlar, Donald G
2016-03-02
Pressure-dependent reactions are ubiquitous in combustion and atmospheric chemistry. We employ a new calibration procedure for quantum Rice-Ramsperger-Kassel (QRRK) unimolecular rate theory within a chemical activation mechanism to calculate the pressure-falloff effect of a radical association with an aromatic ring. The new theoretical framework is applied to the reaction of H with toluene, which is a prototypical reaction in the combustion chemistry of aromatic hydrocarbons present in most fuels. Both the hydrogen abstraction reactions and the hydrogen addition reactions are calculated. Our system-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The new method avoids the need for the usual empirical estimations of the QRRK parameters, and it eliminates the need for variational transition state theory calculations as a function of energy, although in this first application we do validate the falloff curves by comparing SS-QRRK results without tunneling to multistructural microcanonical variational transition state theory (MS-μVT) rate constants without tunneling. At low temperatures, the two approaches agree well with each other, but at high temperatures, SS-QRRK tends to overestimate falloff slightly. We also show that the variational effect is important in computing the energy-resolved rate constants. Multiple-structure anharmonicity, torsional-potential anharmonicity, and high-frequency-mode vibrational anharmonicity are all included in the rate computations, and torsional anharmonicity effects on the density of states are investigated. Branching fractions, which are both temperature- and pressure-dependent (and for which only limited data is available from experiment), are predicted as a function of pressure.
Construction of the zero-energy state of SU(2)-matrix theory: Near the origin
Energy Technology Data Exchange (ETDEWEB)
Hoppe, Jens [Department of Mathematics, Royal Institute of Technology, KTH, 100 44 Stockholm (Sweden)], E-mail: hoppe@kth.se; Lundholm, Douglas [Department of Mathematics, Royal Institute of Technology, KTH, 100 44 Stockholm (Sweden)], E-mail: dogge@math.kth.se; Trzetrzelewski, Maciej [Department of Mathematics, Royal Institute of Technology, KTH, 100 44 Stockholm (Sweden) and Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland)], E-mail: 33lewski@th.if.uj.edu.pl
2009-08-21
We explicitly construct a (unique) Spin(9)xSU(2) singlet state, {phi}, involving only the fermionic degrees of freedom of the supersymmetric matrix-model corresponding to reduced 10-dimensional super-Yang-Mills theory, respectively supermembranes in 11-dimensional Minkowski space. Any non-singular wavefunction annihilated by the 16 supercharges of SU(2) matrix theory must, at the origin (where it is assumed to be non-vanishing) reduce to {phi}.
Zhang, Yanchuan; Stecher, Thomas; Cvitaš, Marko T; Althorpe, Stuart C
2014-11-20
Quantum transition-state theory (QTST) and free-energy instanton theory (FEIT) are two closely related methods for estimating the quantum rate coefficient from the free-energy at the reaction barrier. In calculations on one-dimensional models, FEIT typically gives closer agreement than QTST with the exact quantum results at all temperatures below the crossover to deep tunneling, suggesting that FEIT is a better approximation than QTST in this regime. Here we show that this simple trend does not hold for systems of greater dimensionality. We report tests on several collinear and three-dimensional reactions, in which QTST outperforms FEIT over a range of temperatures below crossover, which can extend down to half the crossover temperature (below which FEIT outperforms QTST). This suggests that QTST-based methods such as ring-polymer molecular dynamics (RPMD) may often give closer agreement with the exact quantum results than FEIT.
THE THEORY OF INDIRECT POWER RELATIONS IN THE FINANCIAL BODIES SYSTEM OF STATE POWER
Directory of Open Access Journals (Sweden)
A.M. Asadov
2006-03-01
Full Text Available The work examines the problem of legal guaranteeing state power financial bodies system functioning in Russia. There is offered the theory of indirect state power legal relations. The application of this theory can facilitate the formation of national system of financial organs as a complete structure which provides the effective enforcement of single state financial policy maintaining the necessary level of state power financial bodies independence from different branches of power. There is considered the financial system functioning through administrative legal status of state power financial bodies as subjects of legal relations and as the legal means providing management of this system taking into consideration one of the most important financial system tasks, i.e., transformations of free financial resources into investment capital.
Three-charge black holes and quarter BPS states in Little String Theory
Energy Technology Data Exchange (ETDEWEB)
Giveon, Amit [Racah Institute of Physics, The Hebrew University,Jerusalem, 91904 (Israel); Harvey, Jeffrey; Kutasov, David; Lee, Sungjay [Enrico Fermi Institute and Department of Physics, The University of Chicago,5620 S. Ellis Av., Chicago, Illinois 60637 (United States)
2015-12-22
We show that the system of k NS5-branes wrapping T{sup 4}×S{sup 1} has non-trivial vacuum structure. Different vacua have different spectra of 1/4 BPS states that carry momentum and winding around the S{sup 1}. In one vacuum, such states are described by black holes; in another, they can be thought of as perturbative BPS states in Double Scaled Little String Theory. In general, both kinds of states are present. We compute the degeneracy of perturbative BPS states exactly, and show that it differs from that of the corresponding black holes. We comment on the implication of our results to the black hole microstate program, UV/IR mixing in Little String Theory, string thermodynamics, the string/black hole transition, and other issues.
Mbarek, Aïcha
2017-06-01
A series of 2%Eu3+-activated ALnP2O7 (A = Rb, Cs, Tl; Ln = Y, Lu, Tm) pyrophosphates were synthesized via solid-state reaction method and characterized by X-ray diffraction (XRD), NMR and IR/Raman spectroscopy. Their photoluminescence properties were investigated at room temperature. The phosphors present red emitting luminescence under blue light excitation, based on f-f transitions of Eu3+ ions. Emission spectra showed that the samples had intense and prevailing red emissions at 610 nm belonging to the 5D0→7F2 electric dipole transition. One Eu3+ center was assigned according to the crystal structure and the luminescence characteristics. The decay times were measured monitoring the maximum of emission at λem = 610 nm and exciting in the 5D2 band (λexc = 464 nm). All decay curves were single exponential and lifetimes remain constant with value in integral range 3-4 ms, according to the alkali metal ion. The optical properties show that these host materials are suitable for phosphor materials for solid-state lighting applications.
Projective Limits of State Spaces: Quantum Field Theory without a Vacuum
Lanéry, Suzanne
2016-01-01
Instead of formulating the states of a Quantum Field Theory (QFT) as density matrices over a single large Hilbert space, it has been proposed by Kijowski [Kijowski, 1977] to construct them as consistent families of partial density matrices, the latter being defined over small 'building block' Hilbert spaces. In this picture, each small Hilbert space can be physically interpreted as extracting from the full theory specific degrees of freedom. This allows to reduce the quantization of a classical field theory to the quantization of finite-dimensional sub-systems, thus sidestepping some of the common ambiguities (specifically, the issues revolving around the choice of a 'vacuum state'), while obtaining robust and well-controlled quantum states spaces. The present letter provides a self-contained introduction to this formalism, detailing its motivations as well as its relations to other approaches to QFT (such as conventional Fock-like Hilbert spaces, path-integral quantization, and the algebraic formulation). At...
State-Space Geometry, Statistical Fluctuations, and Black Holes in String Theory
Directory of Open Access Journals (Sweden)
Stefano Bellucci
2014-01-01
Full Text Available We study the state-space geometry of various extremal and nonextremal black holes in string theory. From the notion of the intrinsic geometry, we offer a state-space perspective to the black hole vacuum fluctuations. For a given black hole entropy, we explicate the intrinsic geometric meaning of the statistical fluctuations, local and global stability conditions, and long range statistical correlations. We provide a set of physical motivations pertaining to the extremal and nonextremal black holes, namely, the meaning of the chemical geometry and physics of correlation. We illustrate the state-space configurations for general charge extremal black holes. In sequel, we extend our analysis for various possible charge and anticharge nonextremal black holes. From the perspective of statistical fluctuation theory, we offer general remarks, future directions, and open issues towards the intrinsic geometric understanding of the vacuum fluctuations and black holes in string theory.
First-order derivative couplings between excited states from adiabatic TDDFT response theory.
Ou, Qi; Bellchambers, Gregory D; Furche, Filipp; Subotnik, Joseph E
2015-02-14
We present a complete derivation of derivative couplings between excited states in the framework of adiabatic time-dependent density functional response theory. Explicit working equations are given and the resulting derivative couplings are compared with derivative couplings from a pseudo-wavefunction ansatz. For degenerate excited states, i.e., close to a conical intersection (CI), the two approaches are identical apart from an antisymmetric overlap term. However, if the difference between two excitation energies equals another excitation energy, the couplings from response theory exhibit an unphysical divergence. This spurious behavior is a result of the adiabatic or static kernel approximation of time-dependent density functional theory leading to an incorrect analytical structure of the quadratic response function. Numerical examples for couplings close to a CI and for well-separated electronic states are given.
State-space Geometry, Statistical Fluctuations and Black Holes in String Theory
Bellucci, Stefano
2011-01-01
We study the state-space geometry of various extremal and nonextremal black holes in string theory. From the notion of the intrinsic geometry, we offer a new perspective of black hole vacuum fluctuations. For a given black hole entropy, we explicate the intrinsic state-space geometric meaning of the statistical fluctuations, local and global stability conditions and long range statistical correlations. We provide a set of physical motivations pertaining to the extremal and nonextremal black holes, \\textit{viz.}, the meaning of the chemical geometry and physics of correlation. We illustrate the state-space configurations for general charge extremal black holes. In sequel, we extend our analysis for various possible charge and anticharge nonextremal black holes. From the perspective of statistical fluctuation theory, we offer general remarks, future directions and open issues towards the intrinsic geometric understanding of the vacuum fluctuations and black holes in string theory. Keywords: Intrinsic Geometry; ...
Restructuring consciousness -the psychedelic state in light of integrated information theory.
Gallimore, Andrew R
2015-01-01
The psychological state elicited by the classic psychedelics drugs, such as LSD and psilocybin, is one of the most fascinating and yet least understood states of consciousness. However, with the advent of modern functional neuroimaging techniques, the effect of these drugs on neural activity is now being revealed, although many of the varied phenomenological features of the psychedelic state remain challenging to explain. Integrated information theory (IIT) is one of the foremost contemporary theories of consciousness, providing a mathematical formalization of both the quantity and quality of conscious experience. This theory can be applied to all known states of consciousness, including the psychedelic state. Using the results of functional neuroimaging data on the psychedelic state, the effects of psychedelic drugs on both the level and structure of consciousness can be explained in terms of the conceptual framework of IIT. This new IIT-based model of the psychedelic state provides an explanation for many of its phenomenological features, including unconstrained cognition, alterations in the structure and meaning of concepts and a sense of expanded awareness. This model also suggests that whilst cognitive flexibility, creativity, and imagination are enhanced during the psychedelic state, this occurs at the expense of cause-effect information, as well as degrading the brain's ability to organize, categorize, and differentiate the constituents of conscious experience. Furthermore, the model generates specific predictions that can be tested using a combination of functional imaging techniques, as has been applied to the study of levels of consciousness during anesthesia and following brain injury.
Restructuring consciousness –the psychedelic state in light of integrated information theory
Gallimore, Andrew R.
2015-01-01
The psychological state elicited by the classic psychedelics drugs, such as LSD and psilocybin, is one of the most fascinating and yet least understood states of consciousness. However, with the advent of modern functional neuroimaging techniques, the effect of these drugs on neural activity is now being revealed, although many of the varied phenomenological features of the psychedelic state remain challenging to explain. Integrated information theory (IIT) is one of the foremost contemporary theories of consciousness, providing a mathematical formalization of both the quantity and quality of conscious experience. This theory can be applied to all known states of consciousness, including the psychedelic state. Using the results of functional neuroimaging data on the psychedelic state, the effects of psychedelic drugs on both the level and structure of consciousness can be explained in terms of the conceptual framework of IIT. This new IIT-based model of the psychedelic state provides an explanation for many of its phenomenological features, including unconstrained cognition, alterations in the structure and meaning of concepts and a sense of expanded awareness. This model also suggests that whilst cognitive flexibility, creativity, and imagination are enhanced during the psychedelic state, this occurs at the expense of cause-effect information, as well as degrading the brain's ability to organize, categorize, and differentiate the constituents of conscious experience. Furthermore, the model generates specific predictions that can be tested using a combination of functional imaging techniques, as has been applied to the study of levels of consciousness during anesthesia and following brain injury. PMID:26124719
Thermal isomerization of azobenzenes: on the performance of Eyring transition state theory
Rietze, Clemens; Titov, Evgenii; Lindner, Steven; Saalfrank, Peter
2017-08-01
The thermal Z\\to E (back-)isomerization of azobenzenes is a prototypical reaction occurring in molecular switches. It has been studied for decades, yet its kinetics is not fully understood. In this paper, quantum chemical calculations are performed to model the kinetics of an experimental benchmark system, where a modified azobenzene (AzoBiPyB) is embedded in a metal-organic framework (MOF). The molecule can be switched thermally from cis to trans, under solvent-free conditions. We critically test the validity of Eyring transition state theory for this reaction. As previously found for other azobenzenes (albeit in solution), good agreement between theory and experiment emerges for activation energies and activation free energies, already at a comparatively simple level of theory, B3LYP/6-31G* including dispersion corrections. However, theoretical Arrhenius prefactors and activation entropies are in qualitiative disagreement with experiment. Several factors are discussed that may have an influence on activation entropies, among them dynamical and geometric constraints (imposed by the MOF). For a simpler model—Z\\to E isomerization in azobenzene—a systematic test of quantum chemical methods from both density functional theory and wavefunction theory is carried out in the context of Eyring theory. Also, the effect of anharmonicities on activation entropies is discussed for this model system. Our work highlights capabilities and shortcomings of Eyring transition state theory and quantum chemical methods, when applied for the Z\\to E (back-)isomerization of azobenzenes under solvent-free conditions.
W_3 irregular states and isolated N=2 superconformal field theories
Kanno, Hiroaki; Shiba, Shotaro; Taki, Masato
2013-01-01
We explore the proposal that the six-dimensional (2,0) theory on the Riemann surface with irregular punctures leads to a four-dimensional gauge theory coupled to the isolated N=2 superconformal theories of Argyres-Douglas type, and to two-dimensional conformal field theory with irregular states. Following the approach of Gaiotto-Teschner for the Virasoro case, we construct W_3 irregular states by colliding a single SU(3) puncture with several regular punctures of simple type. If n simple punctures are colliding with the SU(3) puncture, the resulting irregular state is a simultaneous eigenvector of the positive modes L_n, ..., L_{2n} and W_{2n}, ..., W_{3n} of the W_3 algebra. We find the corresponding isolated SCFT with an SU(3) flavor symmetry as a nontrivial IR fixed point on the Coulomb branch of the SU(3) linear quiver gauge theories, by confirming that its Seiberg-Witten curve correctly predicts the conditions for the W_3 irregular states. We also show that these SCFT's are identical to the ones obtained...
{{{W}}_3} irregular states and isolated {N}=2 superconformal field theories
Kanno, Hiroaki; Maruyoshi, Kazunobu; Shiba, Shotaro; Taki, Masato
2013-03-01
We explore the proposal that the six-dimensional (2, 0) theory on the Riemann surface with irregular punctures leads to a four-dimensional gauge theory coupled to the isolated {N}=2 superconformal theories of Argyres-Douglas type, and to two-dimensional conformal field theory with irregular states. Following the approach of Gaiotto-Teschner for the Virasoro case, we construct {{{W}}_3} irregular states by colliding a single SU(3) puncture with several regular punctures of simple type. If n simple punctures are colliding with the SU(3) puncture, the resulting irregular state is a simultaneous eigenvector of the positive modes L n , . . . , L 2 n and W 2 n , . . . , W 3 n of the {{{W}}_3} algebra. We find the corresponding isolated SCFT with an SU(3) flavor symmetry as a nontrivial IR fixed point on the Coulomb branch of the SU(3) linear quiver gauge theories, by confirming that its Seiberg-Witten curve correctly predicts the conditions for the {{{W}}_3} irregular states. We also compare these SCFT's with the ones obtained from the BPS quiver method.
Light States in Chern-Simons Theory Coupled to Fundamental Matter
Banerjee, Shamik; Maltz, Jonathan; Shenker, Stephen H
2012-01-01
Motivated by developments in vectorlike holography, we study SU(N) Chern-Simons theory coupled to matter fields in the fundamental representation on various spatial manifolds. On the spatial torus T^2, we find light states at small `t Hooft coupling \\lambda=N/k, where k is the Chern-Simons level, taken to be large. In the free scalar theory the gaps are of order \\sqrt {\\lambda}/N and in the critical scalar theory and the free fermion theory they are of order \\lambda/N. The entropy of these states grows like N Log(k). We briefly consider spatial surfaces of higher genus. Based on results from pure Chern-Simons theory, it appears that there are light states with entropy that grows even faster, like N^2 Log(k). This is consistent with the log of the partition function on the three sphere S^3, which also behaves like N^2 Log(k). These light states require bulk dynamics beyond standard Vasiliev higher spin gravity to explain them.
Ullmann, R Thomas; Ullmann, G Matthias
2011-01-27
We present a generalized free energy perturbation theory that is inspired by Monte Carlo techniques and based on a microstate description of a transformation between two states of a physical system. It is shown that the present free energy perturbation theory stated by the Zwanzig equation follows as a special case of our theory. Our method uses a stochastic mapping of the end states that associates a given microstate from one ensemble with a microstate from the adjacent ensemble according to a probability distribution. In contrast, previous free energy perturbation methods use a static, deterministic mapping that associates fixed pairs of microstates from the two ensembles. The advantages of our approach are that end states of differing configuration space volume can be treated easily also in the case of discrete configuration spaces and that the method does not require the potentially cumbersome search for an optimal deterministic mapping. The application of our theory is illustrated by some example problems. We discuss practical applications for which our findings could be relevant and point out perspectives for further development of the free energy perturbation theory.
Energy Technology Data Exchange (ETDEWEB)
Correchel, Vladia; Bacchi, Osny Oliveira Santos [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil); Maria, Isabella Clerici de [Instituto Agronomico de Campinas, SP (Brazil); Sparovek, Gerd [Sao Paulo Univ., Piracicaba, SP (Brazil). Escola Superior de Agricultura Luiz de Queiroz
2002-07-01
The {sup 137} Cs fallout redistribution analysis has been widely used in the last twenty years to investigate the rates of soil erosion and sediment deposition. In this kind of application the knowledge of the local total {sup 137} Cs fallout is of great importance. Usually, this value is evaluated by the analysis of {sup 137} Cs activity in soil profiles from flat non-eroded sites called reference sites. This paper reports preliminary results obtained from an investigation of the spatial variability of {sup 137} Cs inventories at four reference sites located in three places located around Piracicaba Brazil. Higher variability was found in large scale, when compared to the total average from the three places. The so called 'random spatial variability' or small scale variability, in all selected reference site, can be considered small. Considering that the total annual precipitation at the three places are very similar, we concluded that the high variability detected in this scale is an indication that other important factors than precipitation affected the total {sup 137} Cs fallout. The results give also an indication that erosion studies should use reference sites located close to the study area. (author)
Hagedorn spectrum and equation of state of Yang-Mills theories
Caselle, Michele; Panero, Marco
2015-01-01
We present a novel lattice calculation of the equation of state of SU(2) Yang-Mills theory in the confining phase. We show that a gas of massive, non-interacting glueballs describes remarkably well the results, provided that a bosonic closed-string model is used to derive an exponentially growing Hagedorn spectrum for the heavy glueball states with no free parameters. This effective model can be applied to SU(3) Yang-Mills theory and the theoretical prediction agrees nicely with the lattice results reported by Bors\\'anyi et al. in JHEP 07 (2012) 056.
Learning Flash CS4 Professional
Shupe, Rich
2009-01-01
Learning Flash CS4 Professional offers beginners and intermediate Flash developers a unique introduction to the latest version of Adobe's powerful multimedia application. This easy-to-read book is loaded with full-color examples and hands-on tasks to help you master Flash CS4's new motion editor, integrated 3D system, and character control using the new inverse kinematics bones animation system. No previous Flash experience is necessary.
Zeeman Effect in the Electronic Spectrum of Solid CS2
Hochstrasser, Robin M.; Wiersma, Douwe A.
1971-01-01
The lowest-energy 3A2←1Σg+ singlet-triplet transition of CS2 has been studied in the CS2 crystal at 4.2°K. The spectrum consists mainly of progressions in the bending mode ν2'. The following values for the upper state frequencies have been obtained (v1'=677 cm–1, ν2'=309 cm–1) and the unobserved B2
Effective field theory and non-Gaussianity from general inflationary states
Agarwal, Nishant; Tolley, Andrew J; Lin, Jennifer
2013-01-01
We study the effects of non-trivial initial quantum states for inflationary fluctuations within the context of the effective field theory for inflation constructed by Cheung et al. which allows us to discriminate between different initial states in a model-independent way. We develop a Green's function/path integral based formulation that incorporates initial state effects and use it to address questions such as how state-dependent is the consistency relation for the bispectrum, how many e-folds beyond the minimum required to solve the cosmological fine tunings of the big bang are we allowed so that some information from the initial state survives until late times, among others. We find that the so-called consistency condition relating the local limit of the bispectrum and the slow-roll parameter is a state-dependent statement that can be avoided for physically consistent initial states either with or without initial non-Gaussianities.
Malthus’s theory on population as a basis for criticism of the interventionist state
Directory of Open Access Journals (Sweden)
Dokić Marko
2014-01-01
Full Text Available Going by ideological debates concerning (unjustifiable state intervention, protection of individual liberty, and the question of state's role, this article analyses Malthus's theory on population. It states a thesis that theory on population leads Malthus toward the idea of a minimal state and represents a basis for criticism of an interventionist state and its paternalistic role. The article consists of an introduction, four sections and a conclusion. The introduction cites goals of the work and gives basic notes on Malthus's theory on population and its socio-historical context. Special consideration is paid on reasons that lead to desertion of his ideas with a special focus on changes within liberal ideology, that lead to dissociation from classical liberalism and a merging of liberalism with socialism. The first part examines basic principles of Malthus's theory on population - primarily the idea that the population multiply faster than the food supply, and that population, when unchecked, increases in geometrical ratio, while subsistence increases only in arithmetical ratio. Afterwards, this Malthus's idea is linked to the status of the poor, and is concluded that the state intervention is useless, being that the troubles this part of the population faces are a consequence of their own actions. Therefore, the role of the state should not be care for the poor. In the second part positive and preventive checks to population are examined. Preventive checks are further analyzed because Malthus gives them more importance. The third, central part, is dedicated to Malthus's criticism of the Poor Laws and, within it, his opposition to the state's intervention is further analyzed. According to Malthus, laws that are passed in order to improve the status of the poor have an opposite effect. Even though their aim is to decrease poverty, they increase it. Their tendency is to lead to an increase in population, without the simultaneous increase in food
Effect of a yoga practice session and a yoga theory session on state anxiety.
Telles, Shirley; Gaur, Vaishali; Balkrishna, Acharya
2009-12-01
Yoga techniques practiced for varying durations have been shown to reduce state anxiety. In this study, there were 300 naive-to-yoga persons of both sexes who were attending a yoga therapy center in north India for stress relief as day visitors and were not residing at the center. They were assigned to two groups, yoga practice and yoga theory, and their state anxiety was assessed before and after a 2-hr. yoga session. A significant reduction in scores on state anxiety was found in the yoga practice group (14.7% decrease), as well as in the yoga theory group (3.4% decrease). The difference in scores following the sessions was statistically significant. Hence, yoga practice as well as learning about theoretical aspects of yoga appear to reduce state anxiety, with a greater reduction following yoga practice.
Coherent states: a contemporary panorama Coherent states: a contemporary panorama
Twareque Ali, S.; Antoine, Jean-Pierre; Bagarello, Fabio; Gazeau, Jean-Pierre
2012-06-01
Coherent states (CS) of the harmonic oscillator (also called canonical CS) were introduced in 1926 by Schrödinger in answer to a remark by Lorentz on the classical interpretation of the wave function. They were rediscovered in the early 1960s, first (somewhat implicitly) by Klauder in the context of a novel representation of quantum states, then by Glauber and Sudarshan for the description of coherence in lasers. Since then, CS have grown into an extremely rich domain that pervades almost every corner of physics and have also led to the development of several flourishing topics in mathematics. Along the way, a number of review articles have appeared in the literature, devoted to CS, notably the 1985 reprint volume of Klauder and Skagerstam [1], the 1990 review paper by Zhang et al [2], the 1993 Oak Ridge Conference [3] and the 1995 review paper by Ali et al [4]. Textbooks also have been published, among which one might mention the ground breaking text of Perelomov [5] focusing on the group-theoretical aspects, that of Ali et al [6]1 analyzing systematically the mathematical structure beyond the group-theoretical approach and also the relation to wavelet analysis, that of Dodonov and Man'ko [7] mostly devoted to quantum optics, that of Gazeau [8] more oriented towards the physical, probabilistic and quantization aspects, and finally the very recent one by Combescure and Robert [9]. In retrospect, one can see that the development of CS has gone through a two-phase transition. First, the (simultaneous) discovery in 1972 by Gilmore and Perelomov that CS were rooted in group theory, then the realization that CS can be defined in a purely algebraic way, as an eigenvalue problem or by a series expansion (Malkin and Man'ko 1969, Barut and Girardello 1971, Gazeau and Klauder 1999; references to the original articles may be found in the textbooks quoted above). Both facts resulted in an explosive expansion of the CS literature. We thought, therefore, that the time was ripe
Institute of Scientific and Technical Information of China (English)
王刚
2015-01-01
It has unavoidable source between Marx’s state theory and social contract theory. The classic social contract theorist regarded the state as the tool to care for individual rights and social welfare. In the social contract theory, the state is a tool of society, a neutral technology tool used for the public. The negative state theory of the classical liberalism is based on the theoretical premise of abstract individualism. For the historical materialism theory, Marx explored the social economic source of state and considered the state as a tool of class. So a completely neutral state is unlikely to be fully implement in the society system based on private property.%近代社会契约论热衷于探视国家负载的公共性精神，霍布斯等经典的社会契约论者都以国家为看护个人权利与社会福利的公共性工具。社会契约论中的国家是社会的工具，国家是中立性的为社会公众所用的一种技术工具；依凭历史唯物主义的方法论，马克思则将国家判认为了（统治）阶级的工具。从社会的工具到阶级的工具，马克思并未彻底否定近代社会契约论的国家观念，从而否认国家的公共性；但是，马克思的国家学说却也由此被置入了国家阶级性的话语情境之中。
Excited states from range-separated density-functional perturbation theory
Rebolini, Elisa; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas
2014-01-01
We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is defined with two variants of perturbation theory: a straight-forward perturbation theory, and an extension of the G{\\"o}rling--Levy one that has the advantage of keeping the ground-state density constant at each order in the perturbation. Only the first, simpler, variant is tested here on the helium and beryllium atoms and on the dihydrogene molecule. The first-order correction within this perturbation theory improves significantly the total ground-and excited-state energies of the different systems. However, the excitation energies are mostly deterio-rated with respect to the zeroth-order ones, which may be explained by the fact that the ionization energy is no longer correct for all interaction strengths. The second variant of the perturbation theory should improve these re...
Spectral Equations-Of-State Theory for Dense, Partially Ionized Matter
Energy Technology Data Exchange (ETDEWEB)
Ritchie, A B
2004-05-14
The Schroedinger equation is solved in time and space to implement a finite-temperature equation-of-state theory for dense, partially ionized matter. The time-dependent calculation generates a spectrum of quantum states. Eigenfunctions are calculated from a knowledge of the spectrum and used to calculate the electronic pressure and energy. Results are given for LID and compared with results from the INFERNO model.
Ground state of medium-heavy doubly-closed shell nuclei in correlated basis function theory
Bisconti, C; Có, G; Fabrocini, A
2006-01-01
The correlated basis function theory is applied to the study of medium-heavy doubly closed shell nuclei with different wave functions for protons and neutrons and in the jj coupling scheme. State dependent correlations including tensor correlations are used. Realistic two-body interactions of Argonne and Urbana type, together with three-body interactions have been used to calculate ground state energies and density distributions of the 12C, 16O, 40Ca, 48Ca and 208Pb nuclei.
Sharma, Sandeep; Alavi, Ali
2015-01-01
We propose a multireference linearized coupled cluster theory using matrix product states (MPS-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles (MRCISD), for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium and stretched geometries, to highly multireference systems such as the chromium dimer and lattice models such as period...
Large-Scale Density Functional Theory Transition State Searching in Enzymes.
Lever, Greg; Cole, Daniel J; Lonsdale, Richard; Ranaghan, Kara E; Wales, David J; Mulholland, Adrian J; Skylaris, Chris-Kriton; Payne, Mike C
2014-11-06
Linear-scaling quantum mechanical density functional theory calculations have been applied to study the rearrangement of chorismate to prephenate in large-scale models of the Bacillus subtilis chorismate mutase enzyme. By treating up to 2000 atoms at a consistent quantum mechanical level of theory, we obtain an unbiased, almost parameter-free description of the transition state geometry and energetics. The activation energy barrier is calculated to be lowered by 10.5 kcal mol(-1) in the enzyme, compared with the equivalent reaction in water, which is in good agreement with experiment. Natural bond orbital analysis identifies a number of active site residues that are important for transition state stabilization in chorismate mutase. This benchmark study demonstrates that linear-scaling density functional theory techniques are capable of simulating entire enzymes at the ab initio quantum mechanical level of accuracy.
An alternative derivation of ring-polymer molecular dynamics transition-state theory
Hele, Timothy J H
2016-01-01
In a previous article [J. Chem. Phys. 138, 084108 (2013)], we showed that the transition-state-theory ($t\\rightarrow 0_+$) limit of ring-polymer molecular dynamics rate-theory (RPMD-TST) is also the $t\\rightarrow 0_+$ limit of a new type of quantum flux-side time-correlation function, in which the dividing surfaces are invariant to imaginary-time translation; in other words, that RPMD-TST is a $t\\rightarrow 0_+$ quantum transition-state theory (QTST). Recently, Jang and Voth [J. Chem. Phys. 144, 084110 (2016)] rederived this quantum $t\\rightarrow 0_+$ limit, and claimed that it gives instead the centroid-density approximation. Here we show that the $t\\rightarrow 0_+$ limit derived by Jang and Voth is in fact RPMD-TST.
Theory of Mind: Children's Understanding of Mental States
Saracho, Olivia N.
2014-01-01
For more than three decades, theory of mind (ToM) has been one of the leading and prevalent issues in developmental psychology. ToM is the ability to ascribe mental states (e.g. beliefs, intents, desires, pretending, knowledge) to oneself and others as well as to recognise that others have beliefs, desires, and intentions that differ from…
Sit, Cindy H. P.; Lindner, Koenraad J.
2006-01-01
Background: Reversal theory (Apter, 1982, 1989, ) is one of the motivational frameworks which attempts to examine human subjective experiences and behaviours. There are four dyads of metamotivational states (telic-paratelic, conformist-negativistic, autic-alloic, and mastery-sympathy) and individuals may prefer to be in one rather than the other…
White noise theory of robust nonlinear filtering with correlated state and observation noises
Bagchi, Arunabha; Karandikar, Rajeeva
1994-01-01
In the existing `direct¿ white noise theory of nonlinear filtering, the state process is still modelled as a Markov process satisfying an Itô stochastic differential equation, while a `finitely additive¿ white noise is used to model the observation noise. We remove this asymmetry by modelling the st
White noise theory of robust nonlinear filtering with correlated state and observation noises
Bagchi, Arunabha; Karandikar, Rajeeva
1992-01-01
In the direct white noise theory of nonlinear filtering, the state process is still modeled as a Markov process satisfying an Ito stochastic differential equation, while a finitely additive white noise is used to model the observation noise. In the present work, this asymmetry is removed by modeling
Wigner's dynamical transition state theory in phase space : classical and quantum
Waalkens, Holger; Schubert, Roman; Wiggins, Stephen
2008-01-01
We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs t
An Application of Durkheim's Theory of Suicide to Prison Suicide Rates in the United States
Tartaro, Christine; Lester, David
2005-01-01
E. Durkheim (1897) suggested that the societal rate of suicide might be explained by societal factors, such as marriage, divorce, and birth rates. The current study examined male prison suicide rates and suicide rates for men in the total population in the United States and found that variables based on Durkheim's theory of suicide explained…
Theory of Mind: Children's Understanding of Mental States
Saracho, Olivia N.
2014-01-01
For more than three decades, theory of mind (ToM) has been one of the leading and prevalent issues in developmental psychology. ToM is the ability to ascribe mental states (e.g. beliefs, intents, desires, pretending, knowledge) to oneself and others as well as to recognise that others have beliefs, desires, and intentions that differ from…
Theoretical Study of the Charge-Transfer State Separation within Marcus Theory
DEFF Research Database (Denmark)
Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen
2016-01-01
We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold...
Estimation and asymptotic theory for transition probabilities in Markov Renewal Multi–state models
Spitoni, C.; Verduijn, M.; Putter, H.
2012-01-01
In this paper we discuss estimation of transition probabilities for semi–Markov multi–state models. Non–parametric and semi–parametric estimators of the transition probabilities for a large class of models (forward going models) are proposed. Large sample theory is derived using the functional delta
The theory of transformations and autistic states. Autistic transformations: a proposal.
Fix Korbivcher, Celia
2005-12-01
This work integrates two areas of thinking: one in which the author develops considerations regarding observation methods of mental phenomena in psychoanalysis according to Bion's theory of transformations; the other in which she is concerned with the investigation of primitive mental states--protomental states--more specifically, the autistic states of neurotic patients, described by Tustin. Some ideas on the 'philosophical' position underlying transformations theory are elaborated, particularly emphasizing the idea that the same phenomenon in psychoanalysis may be considered from different perspectives, as long as it is situated within the theoretical reference frame to which it belongs. The author considers the idea that this method of phenomenon observation is part of a wider context of general human knowledge, in which uncertainty and relativity of concepts are the main components. By adopting transformations theory as a perspective of phenomena observation that pervades the analytical meeting, the author questions whether it is possible to include other groups of transformation of emotional experiences in this theory, which shows particular phenomena with specific qualities, distinct from those emphasized by Bion. She hypothesizes that autistic phenomena present in neurotic patients, characterizing autistic states, may be considered and detached, making up a particular group of transformation of emotional experience, which analysts often face in their daily practice. She names this group 'autistic transformations'.
An Application of Durkheim's Theory of Suicide to Prison Suicide Rates in the United States
Tartaro, Christine; Lester, David
2005-01-01
E. Durkheim (1897) suggested that the societal rate of suicide might be explained by societal factors, such as marriage, divorce, and birth rates. The current study examined male prison suicide rates and suicide rates for men in the total population in the United States and found that variables based on Durkheim's theory of suicide explained…
Critical rationalism and the state of unawareness in managers¿ theories
Faran, D.; Wijnhoven, A.B.J.M.
2012-01-01
This essay highlights the state of unawareness to which the theories held by managers are susceptible. The essay opens up the question whether the critical rationalist approach, which specifically addresses the unawareness problem in science, is indeed inadequate for organizations as commonly argued
Critical rationalism and the state of unawareness in managers¿ theories
Faran, D.; Faran, D.; Wijnhoven, Alphonsus B.J.M.
2012-01-01
This essay highlights the state of unawareness to which the theories held by managers are susceptible. The essay opens up the question whether the critical rationalist approach, which specifically addresses the unawareness problem in science, is indeed inadequate for organizations as commonly
Institute of Scientific and Technical Information of China (English)
程仙平
2012-01-01
如何积极应对老龄化所带来的老年教育已成为当前社会热点.基于调查问卷,文章分析现代老年教育的主要问题,借鉴市场营销学的4C理论(The Marketing Theory of 4Cs)视角就今后老年教育事业发展策略提出新设想.
Mixed-state form factors of U(1) twist fields in the Dirac theory
Chen, Yixiong
2016-08-01
Using the ‘Liouville space’ (the space of operators) of the massive Dirac theory, we define mixed-state form factors of U(1) twist fields. We consider mixed states with density matrices diagonal in the asymptotic particle basis. This includes the thermal Gibbs state as well as all generalized Gibbs ensembles of the Dirac theory. When the mixed state is specialized to a thermal Gibbs state, using a Riemann-Hilbert problem and low-temperature expansion, we obtain finite-temperature form factors of U(1) twist fields. We then propose the expression for form factors of U(1) twist fields in general diagonal mixed states. We verify that these form factors satisfy a system of nonlinear functional differential equations, which is derived from the trace definition of mixed-state form factors. At last, under weak analytic conditions on the eigenvalues of the density matrix, we write down the large distance form factor expansions of two-point correlation functions of these twist fields. Using the relation between the Dirac and Ising models, this provides the large-distance expansion of the Rényi entropy (for integer Rényi parameter) in the Ising model in diagonal mixed states.
Energy Technology Data Exchange (ETDEWEB)
Tateda, Y.; Tsumune, D.; Tsubono, K.; Misumi, K. [Environmental Science Research Laboratory, CRIEPI, 1646, Abiko, Chiba, 270-1194 (Japan); Yamada, M. [Institute of radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Bunkyo, Hirosaki, Aomori, 036-8564 (Japan); Kanda, J.; Ishimaru, T. [Tokyo University of Marine Science and Technology, 4-5-7, Konan, Minato, Tokyo, 108-8477 (Japan)
2014-07-01
To understand the radioactive matter contamination of coastal biota in case of accidental release to the environment, the {sup 137}Cs levels in coastal biota around the Fukushima were reconstructed by dynamic model simulating non-equilibrated radioactive Cs transfer between seawater and organisms. Since, there is a disagreement between simulated radioactive Cs levels and observed concentrations in benthic organisms, being possibly attributable to the additional contamination source from sediment environment (Tateda et al. 2013), the {sup 137}Cs levels in organisms habituated not close to the sediment are calculated. Using the reconstructed {sup 137}Cs levels in seawater including atmospheric input and direct leakage after 1/March/2011 till 31/December/2012, {sup 137}Cs levels in sedentary organisms such as macro algae, bivalve and surface swimming plankton feeding fish e.g. as white bait were calculated along the Pacific Ocean coastal area of the Eastern Japan. The simulated temporal space distribution of the {sup 137}Cs levels in macro algae, algae feeding invertebrates, coastal bivalves, were generally agreed in the observed temporal profiles corresponding to the same food habitat organisms collected, while the magnitude of the {sup 137}Cs levels were several times lower than observed concentrations. Since the simulated reconstructed seawater levels are only verified by measured values after direct leakage, thus initial levels before the liquid release may be expected to be higher reconstructed level by simulation. The organisms are continuously exposed to initial contaminated seawater, reflecting actual seawater level increase in seawater, thus there may be possible deficit of initial source estimation in coastal surface water e.g. contribution from fine debris deposition to seaward from hydrogen explosion. In other word as shown in overall pushing up measured level compared to reconstructed level in organism, it also suggests the re-distributed {sup 137}Cs
Ferrighi, Lara; Frediani, Luca; Ruud, Kenneth
2010-01-01
The theory and an implementation of the solvent contribution to the cubic response function for the polarizable continuum model for multiconfigurational self-consistent field wave functions is presented. The excited-state polarizability of benzene, para-nitroaniline, and nitrobenzene has been obtained from the double residue of the cubic response function calculated in the presence of an acetonitrile and dioxane solvent. The calculated excited-state polarizabilities are compared to results obtained from the linear response function of the explicitly optimized excited states.
General Theory of Decoy-State Quantum Cryptography with Dark Count Rate Fluctuation
Institute of Scientific and Technical Information of China (English)
GAO Xiang; SUN Shi-Hai; LIANG Lin-Mei
2009-01-01
The existing theory of decoy-state quantum cryptography assumes that the dark count rate is a constant, but in practice there exists fluctuation. We develop a new scheme of the decoy state, achieve a more practical key generation rate in the presence of fluctuation of the dark count rate, and compare the result with the result of the decoy-state without fluctuation.It is found that the key generation rate and maximal secure distance will be decreased under the influence of the fluctuation of the dark count rate.
Investigation of the $nn\\Lambda$ bound state in pionless effective theory
Ando, Shung-Ichi; Oh, Yongseok
2015-01-01
The possibility of an $nn\\Lambda$ bound state is investigated in the framework of pionless effective field theory at leading order. A system of coupled integral equations are constructed in the spin-isospin basis, of which numerical solutions are investigated. In particular, we make use of the limit cycle behavior, i.e., cyclic singularities of coupled integral equations of the system, which would be associated with the formation of a three-body bound state, so-called the Efimov state, in the unitary limit. Furthermore, we find that, when the sharp momentum cutoff introduced in the integral equations is taken significantly larger than the hard scale of the effective theory, the coupling of a three-body contact interaction becomes cyclically singular indicating the onset of Efimov-like bound state formation. However, the paucity of empirical information to determine the parameters of the theory precludes a definitive conclusion on the existence of such a bound state. As a simple test of the feasibility of the ...
A Note on the Tachyon State in Vacuum String Field Theory
Rashkov, R
2001-01-01
We re-examine the recent proposal of Rastelli, Sen and Zwiebach on the tachyon fluctuation of the vacuum string field theory representing a D25 brane, originally considered by Hata and Kawano. We show that the tachyon state satisfies the linearized equations of motion on-shell in the strong sense thereby allowing us to calculate the ratio of energy density to the tension of the D-brane to be $E_c/T_{25}\\simeq \\pi^2/3[1/16(ln2)^3]\\simeq 0.62$. Our proof relies on a careful handling of the limits ($n\\to\\infty$) involved in the conformal theory description of the sliver and tachyon states. We conjecture that the sliver state represents a single D25 brane.
Calculating the Lifetimes of Metastable States with Complex Density Functional Theory.
Zhou, Yongxi; Ernzerhof, Matthias
2012-07-19
Among other applications, complex absorbing potentials (CAPs) have proven to be useful tools in the theory of metastable states. They facilitate the conversion of unbound states of a finite lifetime into normalized bound states with a complex energy. Adding CAPs to a conventional Hamiltonian turns it into a non-Hermitian operator. Recently, we introduced a complex density functional theory (CODFT) that extends the Kohn-Sham method to the realm of non-Hermitian systems. Here, we combine CAPs with CODFT and present the first application of CODFT to metastable systems. In particular, we consider the negative ions of the beryllium atom and the nitrogen molecule. Using conventional exchange-correlation functionals as functionals of a complex density, the resonance positions and the resonance lifetimes are obtained, and they are in line with the findings of other studies.
String states, loops and effective actions in noncommutative field theory and matrix models
Directory of Open Access Journals (Sweden)
Harold C. Steinacker
2016-09-01
Full Text Available Refining previous work by Iso, Kawai and Kitazawa, we discuss bi-local string states as a tool for loop computations in noncommutative field theory and matrix models. Defined in terms of coherent states, they exhibit the stringy features of noncommutative field theory. This leads to a closed form for the 1-loop effective action in position space, capturing the long-range non-local UV/IR mixing for scalar fields. The formalism applies to generic fuzzy spaces. The non-locality is tamed in the maximally supersymmetric IKKT or IIB model, where it gives rise to supergravity. The linearized supergravity interactions are obtained directly in position space at one loop using string states on generic noncommutative branes.
Matrix product states and variational methods applied to critical quantum field theory
Milsted, Ashley; Osborne, Tobias J
2013-01-01
We study the second-order quantum phase-transition of massive real scalar field theory with a quartic interaction in (1+1) dimensions on an infinite spatial lattice using matrix product states (MPS). We introduce and apply a naive variational conjugate gradient method, based on the time-dependent variational principle (TDVP) for imaginary time, to obtain approximate ground states, using a related ansatz for excitations to calculate the particle and soliton masses and to obtain the spectral density. We also estimate the central charge using finite-entanglement scaling. Our value for the critical parameter agrees well with recent Monte Carlo results, improving on an earlier study which used the related DMRG method, verifying that these techniques are well-suited to studying critical field systems. We also obtain critical exponents that agree, as expected, with those of the transverse Ising model. Additionally, we treat the special case of uniform product states (mean field theory) separately, showing that they ...
String states, loops and effective actions in noncommutative field theory and matrix models
Energy Technology Data Exchange (ETDEWEB)
Steinacker, Harold C., E-mail: harold.steinacker@univie.ac.at
2016-09-15
Refining previous work by Iso, Kawai and Kitazawa, we discuss bi-local string states as a tool for loop computations in noncommutative field theory and matrix models. Defined in terms of coherent states, they exhibit the stringy features of noncommutative field theory. This leads to a closed form for the 1-loop effective action in position space, capturing the long-range non-local UV/IR mixing for scalar fields. The formalism applies to generic fuzzy spaces. The non-locality is tamed in the maximally supersymmetric IKKT or IIB model, where it gives rise to supergravity. The linearized supergravity interactions are obtained directly in position space at one loop using string states on generic noncommutative branes.
Correct Path-Integral Formulation of Quantum Thermal Field Theory in Coherent State Representation
Institute of Scientific and Technical Information of China (English)
SU Jun-Chen; ZHENG Fu-Hou
2005-01-01
The path-integral quantization of thermal scalar, vector, and spinor fields is performed newly in the coherent-state representation. In doing this, we choose the thermal electrodynamics and ψ4 theory as examples. By this quantization, correct expressions of the partition functions and the generating functionals for the quantum thermal electrodynamics and ψ4 theory are obtained in the coherent-state representation. These expressions allow us to perform analytical calculations of the partition functions and generating functionals and therefore are useful in practical applications. Especially, the perturbative expansions of the generating functionals are derived specifically by virtue of the stationary-phase method. The generating functionals formulated in the position space are re-derived from the ones given in the coherent-state representation.
Cao, Yin; Xiang, JianBo; Qian, Nong; Sun, SuPing; Hu, LiJun; Yuan, YongGui
2015-01-01
To explore the function of the default mode network (DMN) in the psychopathological mechanisms of theory of mind deficits in patients with an esophageal cancer concomitant with depression in resting the state. Twenty-five cases of esophageal cancer with theory of mind deficits (test group) that meet the diagnostic criteria of esophageal cancer and neuropsychological tests, including Beck depression inventory, reading the mind in the eyes, and Faux pas, were included, Another 25 cases of esophageal cancer patients but without theory of mind deficits (control group) were enrolled. Each patient completed a resting-state functional magnetic resonance imaging. The functional connectivity intensities within the cerebral regions in the DMN of all the enrolled patients were analyzed. The results of each group were compared. The functional connectivity of the bilateral prefrontal central region with the precuneus, bilateral posterior cingulate gyrus and bilateral ventral anterior cingulate gyrus in the patients of the test group were all reduced significantly (P theory of mind deficits. The theory of mind deficits might have an important function in the pathogenesis of esophageal cancer.
Institute of Scientific and Technical Information of China (English)
2012-01-01
Adobe发布Photoshop CS6Beta。Photoshop CS6Beta包含PhotoshopCS6及Photoshop CS6 Extended中的所有功能（正式版dPCS6将不包含CS6Extended中的功能），用户可以免费体验3D影像编辑及图像分析功能。
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Byrd, Jason N; Perera, Ajith; Bartlett, Rodney J
2015-01-01
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known equation-of-motion many-body perturbation theory (EOM-MBPT(2)) equations and two new equation-of-motion methods based on the linear coupled-cluster doubles (EOM-LCCD) and linear coupled-cluster singles and doubles (EOM-LCCSD) wavefunctions. This is achieved by performing a short-circuiting procedure on the MBPT(2) similarity transformed Hamiltonian. These new methods are benchmarked against very accurate theoretical and experimental spectra from 25 small organic molecules. It is found that the proposed methods have excellent agreement with canonical EOM-CCSD state for state orderings and relative excited state energies as well as acceptable quantitative agreement for absolute excitation energies compared with the best estimate theory and experimental spectra.
Restructuring Consciousness –the Psychedelic State in Light of Integrated Information Theory
Directory of Open Access Journals (Sweden)
Andrew Robert Gallimore
2015-06-01
Full Text Available The psychological state elicited by the classic psychedelics drugs, such as LSD and psilocybin, is one of the most fascinating and yet least understood states of consciousness. However, with the advent of modern functional neuroimaging techniques, the effect of these drugs on neural activity is now being revealed, although many of the varied phenomenological features of the psychedelic state remain challenging to explain. Integrated information theory (IIT is one of the foremost contemporary theories of consciousness, providing a mathematical formalization of both the quantity and quality of conscious experience. This theory can be applied to all known states of consciousness, including the psychedelic state. Using the results of functional neuroimaging data on the psychedelic state, the effects of psychedelic drugs on both the level and structure of consciousness can be explained in terms of the conceptual framework of IIT. This new IIT-based model of the psychedelic state provides an explanation for many of its phenomenological features, including unconstrained cognition, alterations in the structure and meaning of concepts and a sense of expanded awareness. This model also suggests that whilst cognitive flexibility, creativity, and imagination are enhanced during the psychedelic state, this occurs at the expense of cause-effect information, as well as degrading the brain’s ability to organize, categorize, and differentiate the constituents of conscious experience. Furthermore, the model generates specific predictions that can be tested using a combination of functional imaging techniques, as has been applied to the study of levels of consciousness during anesthesia and following brain injury.
A Note On The Semiclassical Formulation Of BPS States In Four-Dimensional N=2 Theories
Brennan, T Daniel
2016-01-01
Vector spaces of (framed) BPS states of Lagrangian four-dimensional N=2 field theories can be defined in semiclassical chambers in terms of the $L^2$-cohomology of Dirac-like operators on monopole moduli spaces. This was spelled out previously for theories with only vectormultiplets, taking into account only a subset of the possible half-supersymmetric 't Hooft-Wilson line defects. This note completes the discussion by describing the modifications needed when including matter hypermultiplets together with arbitrary 't Hooft-Wilson line defects. Two applications of this extended discussion are given.
Warner, Janine
2012-01-01
Start creating websites that wow with the Dreamweaver CS6! Powerful yet easy to master, Dreamweaver is the dominant professional web development tool. Web design expert Janine Warner has updated her bestselling Dreamweaver For Dummies guide for the latest release of the software and walks you through the essential steps to building the website you’ve always wanted. Both beginning and intermediate web developers will get the information they need from this easy-to-follow reference to Dreamweaver CS6. Dreamweaver is the gold standard for website development software; this book covers wha
Dreamweaver CS4 Digital Classroom
Osborn, Jeremy; Team, AGI Creative
2011-01-01
Dreamweaver CS4 Digital Classroom is like having a personal instructor guiding readers through each lesson, while they work at their own pace. This book includes 13 self-paced lessons that let readers discover essential skills and explore new features and capabilities of Adobe Dreamweaver CS4. Each lesson is presented in full color with step-by-step instructions. Learning is reinforced with video tutorials and lesson files on a companion DVD that were developed by the same team of Adobe Certified Instructors and Dreamweaver experts who have created many of the official training titles for Adob
Bauer, er
2012-01-01
The bestselling guide to the leading image-editing software, Photoshop CS6, fully updated! Want picture-perfect photos, every time? Get up to speed on the most popular professional photo-editing software on the market: Photoshop. In this new edition of Photoshop CS6 For Dummies, expert Peter Bauer shows you how to use the latest Photoshop tools to change a background, adjust brightness, improve color, or fix flaws. Richly illustrated in full color, this edition covers all the updates in the newest version of Photoshop, the gold standard for image-editing programs. Used by professional
Behizadeh, Nadia; Engelhard, George, Jr.
2011-01-01
The purpose of this study is to examine the interactions among measurement theories, writing theories, and writing assessments in the United States from an historical perspective. The assessment of writing provides a useful framework for examining how theories influence, and in some cases fail to influence actual practice. Two research traditions…
Ab initio multiple spawning dynamics using multi-state second-order perturbation theory.
Tao, Hongli; Levine, Benjamin G; Martínez, Todd J
2009-12-10
We have implemented multi-state second-order perturbation theory (MS-CASPT2) in the ab initio multiple spawning (AIMS) method for first-principles molecular dynamics including nonadiabatic effects. The nonadiabatic couplings between states are calculated numerically using an efficient method which requires only two extra energy calculations per time step. As a representative example, we carry out AIMS-MSPT2 calculations of the excited state dynamics of ethylene. Two distinct types of conical intersections, previously denoted as the twisted-pyramidalized and ethylidene intersections, are responsible for ultrafast population transfer from the excited state to the ground state. Although these two pathways have been observed in prior dynamics simulations, we show here that the branching ratio is affected by dynamic correlation with the twisted-pyramidalized intersection overweighting the ethylidene-like intersection during the decay process at the AIMS-MSPT2 level of description.
Application of a Resource Theory for Magic States to Fault-Tolerant Quantum Computing.
Howard, Mark; Campbell, Earl
2017-03-03
Motivated by their necessity for most fault-tolerant quantum computation schemes, we formulate a resource theory for magic states. First, we show that robustness of magic is a well-behaved magic monotone that operationally quantifies the classical simulation overhead for a Gottesman-Knill-type scheme using ancillary magic states. Our framework subsequently finds immediate application in the task of synthesizing non-Clifford gates using magic states. When magic states are interspersed with Clifford gates, Pauli measurements, and stabilizer ancillas-the most general synthesis scenario-then the class of synthesizable unitaries is hard to characterize. Our techniques can place nontrivial lower bounds on the number of magic states required for implementing a given target unitary. Guided by these results, we have found new and optimal examples of such synthesis.
Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green's Function Theory
Yin, Huabing; Ma, Yuchen; Mu, Jinglin; Liu, Chengbu; Rohlfing, Michael
2014-06-01
Charge-transfer (CT) excited states play an important role in the excited-state dynamics of DNA in aqueous solution. However, there is still much controversy on their energies. By ab initio many-body Green's function theory, together with classical molecular dynamics simulations, we confirm the existence of CT states at the lower energy side of the optical absorption maximum in aqueous DNA as observed in experiments. We find that the hydration shell can exert strong effects (˜1 eV) on both the electronic structure and CT states of DNA molecules through dipole electric fields. In this case, the solvent cannot be simply regarded as a macroscopic screening medium as usual. The influence of base stacking and base pairing on the CT states is also discussed.
Theory of mind in the wild: toward tackling the challenges of everyday mental state reasoning.
Directory of Open Access Journals (Sweden)
Annie E Wertz
Full Text Available A complete understanding of the cognitive systems underwriting theory of mind (ToM abilities requires articulating how mental state representations are generated and processed in everyday situations. Individuals rarely announce their intentions prior to acting, and actions are often consistent with multiple mental states. In order for ToM to operate effectively in such situations, mental state representations should be generated in response to certain actions, even when those actions occur in the presence of mental state content derived from other aspects of the situation. Results from three experiments with preschool children and adults demonstrate that mental state information is indeed generated based on an approach action cue in situations that contain competing mental state information. Further, the frequency with which participants produced or endorsed explanations that include mental states about an approached object decreased when the competing mental state information about a different object was made explicit. This set of experiments provides some of the first steps toward identifying the observable action cues that are used to generate mental state representations in everyday situations and offers insight into how both young children and adults processes multiple mental state representations.
Dreamweaver CS55 The Missing Manual
McFarland, David
2011-01-01
Dreamweaver is the tool most widely used for designing and managing professional-looking websites, but it's a complex program. That's where Dreamweaver CS5.5: The Missing Manual comes in. With its jargon-free explanations, 13 hands-on tutorials, and savvy advice from Dreamweaver expert Dave McFarland, you'll master this versatile program with ease. Get A to Z guidance. Go from building your first web page to creating interactive, database-driven sites.Build skills as you learn. Apply your knowledge through tutorials and downloadable practice files.Create a state-of-the-art website. Use powerf
Universal three-body recombination and Efimov resonances in an ultracold Li-Cs mixture
Ulmanis, J.; Häfner, S.; Pires, R.; Werner, F.; Petrov, D. S.; Kuhnle, E. D.; Weidemüller, M.
2016-02-01
We study Efimov resonances via three-body loss in an ultracold two-component gas of fermionic 6Li and bosonic 133Cs atoms close to a Feshbach resonance at 843 G, extending results reported previously [Pires et al., Phys. Rev. Lett. 112, 250404 (2014), 10.1103/PhysRevLett.112.250404] to temperatures around 120 nK. The experimental scheme for reaching lower temperatures is based upon compensating the gravity-induced spatial separation of the mass-imbalanced gases with bichromatic optical dipole traps. We observe the first and second excited Li-Cs-Cs Efimov resonance in the magnetic field dependence of the three-body event rate constant, in good agreement with the universal zero-range theory at finite temperature [Petrov and Werner, Phys. Rev. A 92, 022704 (2015), 10.1103/PhysRevA.92.022704]. Deviations are found for the Efimov ground state, and the inelasticity parameter η is found to be significantly larger than those for single-species systems.
The quasilinear theory in the approach of long-range systems to quasi-stationary states
Campa, Alessandro; Chavanis, Pierre-Henri
2017-05-01
We develop a quasilinear theory of the Vlasov equation in order to describe the approach of systems with long-range interactions to quasi-stationary states. The quasilinear theory is based on the assumption that, although the initial distribution is not Vlasov stable, nevertheless its evolution towards a Vlasov stable stationary state is such that it is always only slightly inhomogeneous. We derive a diffusion equation governing the evolution of the velocity distribution of the system towards a steady state. This steady state is expected to correspond to the space-averaged quasi-stationary distribution function reached by the Vlasov equation as a result of a collisionless relaxation. We compare the prediction of the quasilinear theory to direct numerical simulations of the Hamiltonian mean field model, starting from an unstable spatially homogeneous distribution, either Gaussian or semi-elliptical. In the Gaussian case, we find that the quasilinear theory works reasonably well for weakly unstable initial conditions (i.e. close to the critical energy ε_c=3/4=0.75 ) and that it is able to predict the energy ε_t≃ 0.735 marking the effective out-of-equilibrium phase transition between unmagnetized and magnetized quasi-stationary states found in the numerical simulations. Similarly, the quasilinear theory works well for energies close to the instability threshold of the semi-elliptical case ε^*c =5/8=0.625 , and it predicts an effective out-of-equilibrium transition at εt≃ 0.619 . In both situations, the quasilinear theory works less well at energies lower than the out-of-equilibrium transition, the disagreement with the numerical simulations increasing with decreasing energy. In that case, we observe, in agreement with our previous numerical study (Campa and Chavanis 2013 Eur. Phys. J. B 86 170), that the quasi-stationary states are remarkably well fitted by polytropic distributions (Tsallis distributions) with index n = 2 (Gaussian case) or n
DEFF Research Database (Denmark)
Rasmussen, Søren Birk; Hama, Hind; Lapina, Olga;
2003-01-01
The conductivity of the binary system CS2S2O7-CsHSO4 has been measured at 20 different molten compositions in the full composition range and in the temperature range 430-750 K. From the obtained liquidus-solidus phase transition temperatures, the phase diagram has been constructed. It is of the s......The conductivity of the binary system CS2S2O7-CsHSO4 has been measured at 20 different molten compositions in the full composition range and in the temperature range 430-750 K. From the obtained liquidus-solidus phase transition temperatures, the phase diagram has been constructed...... from the NMR measurements on CsHSO4, CS2S2O7, and Cs2S2O7-CsHSO4 mixtures. For 11 selected compositions covering the entire composition range of the CS2S2O7-CsHSO4 binary system, the conductivity of the molten state has been expressed by equations of the form k(X) = A(X) + B(X)(T - T-m) + C(X)(T - T...
Energy Technology Data Exchange (ETDEWEB)
Vianello, E.A.; Almeida, C.E. de [Laboratorio de Ciencias Radiologicas- LCR-DBB (UERJ). R. Sao Francisco Xavier, 524- Pav. HLC, sala 136 terreo- CEP 20.550- 013. Rio de Janeiro (Brazil)
1998-12-31
In this work the experimental determination of correction factor for fluence divergence (kln) of linear Cs-137 sources CDCS J4, with Farmer ionization chamber model 2571 in a central and perpendicular plan to source axis, for distances range from 1 to 7 cm., has been presented. The experimental results were compared to calculating by Kondo and Randolph (1960) isotropic theory and Bielajew (1990) anisotropic theory. (Author)
Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.
2016-10-01
A high-quality single crystal of cesium mercury tetrabromide, Cs2HgCl4, was synthesized by using the vertical Bridgman-Stockbarger method and its electronic structure was studied from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectra were measured for both pristine and Ar+ ion-bombarded Cs2HgCl4 single crystal surfaces. The present XPS measurements indicate that the Cs2HgCl4 single crystal surface is sensitive with respect to Ar+ ion-bombardment: such a treatment changes substantially its elemental stoichiometry. With the aim of exploring total and partial densities of states within the valence band and conduction band regions of the Cs2HgCl4 compound, band-structure calculations based on density functional theory (DFT) using the augmented plane wave + local orbitals (APW + lo) method as incorporated within the WIEN2k package are performed. The calculations indicate that the Cl 3p states are the principal contributors in the upper portion of the valence band, while the Hg 5d and Cs 5p states dominate in its lower portion. In addition, the calculations allow for concluding that the unoccupied Cl p and Hg s states are the main contributors to the bottom of the conduction band. Furthermore, main optical characteristics of Cs2HgCl4, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity, are elucidated based on the DFT calculations.
Zheng, Jingjing; Truhlar, Donald G
2012-01-01
Complex molecules often have many structures (conformations) of the reactants and the transition states, and these structures may be connected by coupled-mode torsions and pseudorotations; some but not all structures may have hydrogen bonds in the transition state or reagents. A quantitative theory of the reaction rates of complex molecules must take account of these structures, their coupled-mode nature, their qualitatively different character, and the possibility of merging reaction paths at high temperature. We have recently developed a coupled-mode theory called multi-structural variational transition state theory (MS-VTST) and an extension, called multi-path variational transition state theory (MP-VTST), that includes a treatment of the differences in the multi-dimensional tunneling paths and their contributions to the reaction rate. The MP-VTST method was presented for unimolecular reactions in the original paper and has now been extended to bimolecular reactions. The MS-VTST and MP-VTST formulations of variational transition state theory include multi-faceted configuration-space dividing surfaces to define the variational transition state. They occupy an intermediate position between single-conformation variational transition state theory (VTST), which has been used successfully for small molecules, and ensemble-averaged variational transition state theory (EA-VTST), which has been used successfully for enzyme kinetics. The theories are illustrated and compared here by application to three thermal rate constants for reactions of ethanol with hydroxyl radical--reactions with 4, 6, and 14 saddle points.
Pérez, A; Simon, P; de Traubenberg, M Rausch
1996-01-01
A 2D- fractional supersymmetry theory is algebraically constructed. The Lagrangian is derived using an adapted superspace including, in addition to a scalar field, two fields with spins 1/3,2/3. This theory turns out to be a rational conformal field theory. The symmetry of this model goes beyond the super Virasoro algebra and connects these third-integer spin states. Besides the stress-momentum tensor, we obtain a supercurrent of spin 4/3. Cubic relations are involved in order to close the algebra; the basic algebra is no longer a Lie or a super-Lie algebra. The central charge of this model is found to be 4/3. Finally, we analyse the form that a local invariant action should take.
Energy Technology Data Exchange (ETDEWEB)
Perez, A. [Strasbourg-1 Univ., 67 (France). Lab. de Physique Theorique; Rausch de Traubenberg, M. [Strasbourg-1 Univ., 67 (France). Lab. de Physique Theorique]|[Centre de Recherches Nucleaires, Bat. 40/II, 67037 Strasbourg Cedex 2 (France); Simon, P. [Strasbourg-1 Univ., 67 (France). Lab. de Physique Theorique
1996-12-23
A 2D fractional supersymmetry theory is algebraically constructed. The Lagrangian is derived using an adapted superspace including, in addition to a scalar field, two fields with spins 1/3,2/3. This theory turns out to be a rational conformal field theory. The symmetry of this model goes beyond the super-Virasoro algebra and connects these third-integer spin states. Besides the stress-momentum tensor, we obtain a supercurrent of spin 4/3. Cubic relations are involved in order to close the algebra; the basic algebra is no longer a Lie or a super-Lie algebra. The central charge of this model is found to be 5/3. Finally, we analyze the form that a local invariant action should take. (orig.).
Ground-State Properties of Z = 59 Nuclei in the Relativistic Mean-Field Theory
Institute of Scientific and Technical Information of China (English)
ZHOU Yong; MA Zhong-Yu; CHEN Bao-Qiu; LI Jun-Qing
2000-01-01
Ground-state properties of Pr isotopes are studied in a framework of the relativistic mean-field (RMF) theory using the recently proposed parameter set TM1. Bardeen-Cooper-Schrieffer (BCS) pproximation and blocking method is adopted to deal with pairing interaction and the odd nucleon, respectively. The pairing forces are taken to be isospin dependent. The domain of the validity of the BCS theory and the positions of neutron and proton drip lines are studied. It is shown that RMF theory has provided a good description of the binding energy,isotope shifts and deformation of nuclei over a large range of Pr isotopes, which are in good agreement with those obtained in the finite-range droplet model.
Form the density-of-states method to finite density quantum field theory
Langfeld, Kurt
2016-01-01
During the last 40 years, Monte Carlo calculations based upon Importance Sampling have matured into the most widely employed method for determinig first principle results in QCD. Nevertheless, Importance Sampling leads to spectacular failures in situations in which certain rare configurations play a non-secondary role as it is the case for Yang-Mills theories near a first order phase transition or quantum field theories at finite matter density when studied with the re-weighting method. The density-of-states method in its LLR formulation has the potential to solve such overlap or sign problems by means of an exponential error suppression. We here introduce the LLR approach and its generalisation to complex action systems. Applications include U(1), SU(2) and SU(3) gauge theories as well as the Z3 spin model at finite densities and heavy-dense QCD.
Directory of Open Access Journals (Sweden)
Nikolay S. Slobodyanik
2009-08-01
Full Text Available Caesium magnesium orthophosphate is built up from MgO4 and PO4 tetrahedra (both with . m. symmetry linked together by corners, forming a three-dimensional framework. The Cs atoms have .m. site symmetry and are located in hexagonal channels running along the a- and b-axis directions.
Steady-state ab initio laser theory for complex gain media
Cerjan, Alexander; Stone, A Douglas
2014-01-01
We derive and test a generalization of Steady-State Ab Initio Laser Theory (SALT) to treat complex gain media. The generalized theory (C-SALT) is able to treat atomic and molecular gain media with diffusion and multiple lasing transitions, and semiconductor gain media in the free carrier approximation including fully the effect of Pauli blocking. The key assumption of the theory is stationarity of the level populations, which leads to coupled self-consistent equations for the populations and the lasing modes that fully include the effects of openness and non-linear spatial hole-burning. These equations can be solved efficiently for the steady-state lasing properties by a similar iteration procedure as in SALT, where a static gain medium with a single transition is assumed. The theory is tested by comparison to much less efficient Finite Difference Time Domain (FDTD) methods and excellent agreement is found. Using C-SALT to analyze the effects of varying gain diffusion constant we demonstrate a cross-over betw...
Steady-state ab initio laser theory for complex gain media.
Cerjan, Alexander; Chong, Y D; Stone, A Douglas
2015-03-09
We derive and test a generalization of the steady-state ab initio laser theory (SALT) to treat complex gain media. The generalized theory (C-SALT) is able to treat atomic and molecular gain media with diffusion and multiple lasing transitions, and semiconductor gain media in the free carrier approximation including fully the effect of Pauli blocking. The key assumption of the theory is stationarity of the level populations, which leads to coupled self-consistent equations for the populations and the lasing modes that fully include the effects of openness and non-linear spatial hole-burning. These equations can be solved efficiently for the steady-state lasing properties by a similar iteration procedure as in SALT, where a static gain medium with a single transition is assumed. The theory is tested by comparison to much less efficient finite difference time domain (FDTD) methods and excellent agreement is found. Using C-SALT to analyze the effects of varying gain diffusion constant we demonstrate a cross-over between the regime of strong spatial hole burning with multimode lasing to a regime of negligible spatial hole burning, leading to gain-clamping, and single mode lasing. The effect of spatially inhomogeneous pumping combined with diffusion is also studied and a relevant length scale for spatial inhomogeneity to persist under these conditions is determined. For the semiconductor gain model, we demonstrate the frequency shift due to Pauli blocking as the pumping strength changes.
Some exact computations on the twisted butterfly state in string field theory
Okawa, Y
2004-01-01
The twisted butterfly state solves the equation of motion of vacuum string field theory in the singular limit. The finiteness of the energy density of the solution is an important issue, but possible conformal anomaly resulting from the twisting has prevented us from addressing this problem. We present a description of the twisted regulated butterfly state in terms of a conformal field theory with a vanishing central charge which consists of the ordinary bc ghosts and a matter system with c=26. Various quantities relevant to vacuum string field theory are computed exactly using this description. We find that the energy density of the solution can be finite in the limit, but the finiteness depends on the subleading structure of vacuum string field theory. We further argue, contrary to our previous expectation, that contributions from subleading terms in the kinetic term to the energy density can be of the same order as the contribution from the leading term which consists of the midpoint ghost insertion.
Three new branched chain equations of state based on Wertheim's perturbation theory.
Marshall, Bennett D; Chapman, Walter G
2013-05-07
In this work, we present three new branched chain equations of state (EOS) based on Wertheim's perturbation theory. The first represents a slightly approximate general branched chain solution of Wertheim's second order perturbation theory (TPT2) for athermal hard chains, and the second represents the extension of first order perturbation theory with a dimer reference fluid (TPT1-D) to branched athermal hard chain molecules. Each athermal branched chain EOS was shown to give improved results over their linear counterparts when compared to simulation data for branched chain molecules with the branched TPT1-D EOS being the most accurate. Further, it is shown that the branched TPT1-D EOS can be extended to a Lennard-Jones dimer reference system to obtain an equation of state for branched Lennard-Jones chains. The theory is shown to accurately predict the change in phase diagram and vapor pressure which results from branching as compared to experimental data for n-octane and corresponding branched isomers.
Compiling Causal Theories to Successor State Axioms and STRIPS-Like Systems
Lin, F
2011-01-01
We describe a system for specifying the effects of actions. Unlike those commonly used in AI planning, our system uses an action description language that allows one to specify the effects of actions using domain rules, which are state constraints that can entail new action effects from old ones. Declaratively, an action domain in our language corresponds to a nonmonotonic causal theory in the situation calculus. Procedurally, such an action domain is compiled into a set of logical theories, one for each action in the domain, from which fully instantiated successor state-like axioms and STRIPS-like systems are then generated. We expect the system to be a useful tool for knowledge engineers writing action specifications for classical AI planning systems, GOLOG systems, and other systems where formal specifications of actions are needed.
Bound-state field theory approach to proton structure effects in muonic hydrogen
Mohr, Peter J; Sapirstein, J
2013-01-01
A bound-state field theory approach to muonic hydrogen is set up using a variant of the Furry representation in which the lowest-order Hamiltonian describes a muon in the presence of a point Coulomb field, but the origin of the binding field is taken to be three charged quarks in the proton which are modeled as Dirac particles that move freely within a spherical well. Bound-state field theory techniques are used to evaluate one- and two-photon effects. Particular attention is paid to two-photon exchange diagrams, which include the effect of proton polarizability. In addition the modification of the electromagnetic self energy of the proton by the electric field of the muon is examined. Finally, the model is used to carry out a calculation of the static electric polarizability of the proton.
Bhaskaran-Nair, Kiran; Kowalski, Karol
2013-05-28
The universal state selective (USS) multireference approach is used to construct new energy functionals which offer a possibility of bridging single and multireference coupled cluster theories (SR/MRCC). These functionals, which can be used to develop iterative and non-iterative approaches, utilize a special form of the trial wavefunctions, which assure additive separability (or size-consistency) of the USS energies in the non-interacting subsystem limit. When the USS formalism is combined with approximate SRCC theories, the resulting formalism can be viewed as a size-consistent version of the method of moments of coupled cluster equations employing a MRCC trial wavefunction. Special cases of the USS formulations, which utilize single reference state specific CC [V. V. Ivanov, D. I. Lyakh, and L. Adamowicz, Phys. Chem. Chem. Phys. 11, 2355 (2009)] and tailored CC [T. Kinoshita, O. Hino, and R. J. Bartlett, J. Chem. Phys. 123, 074106 (2005)] expansions are also discussed.
Theory of NMR chemical shift in an electronic state with arbitrary degeneracy
Heuvel, Willem Van den
2012-01-01
We present a theory of nuclear magnetic resonance (NMR) shielding tensors for electronic states with arbitrary degeneracy. The shieldings are here expressed in terms of generalized Zeeman ($g^{(k)}$) and hyperfine ($A^{(k)}$) tensors, of all ranks $k$ allowed by the size of degeneracy. Contrary to recent proposals [T. O. Pennanen and J. Vaara, Phys. Rev. Lett. 100, 133002 (2008)], our theory is valid in the strong spin-orbit coupling limit. Ab initio calculations for the 4-fold degenerate $\\Gamma_8$ ground state of lanthanide-doped fluorite crystals CaF$_2$:Ln (Ln = Pr$^{2+}$, Nd$^{3+}$, Sm$^{3+}$, and Dy$^{3+}$) show that previously neglected contributions can account for more than 50% of the paramagnetic shift.
Scattering of Discrete States in Two Dimensional Open String Field Theory
Sevic, B U
1993-01-01
This is the second in a series of papers devoted to open string field theory in two dimensions. In this paper we aim to clarify the origin and the role of discrete physical states in the theory. To this end, we study interactions of discrete states and generic tachyons. In particular, we discuss at length four point amplitudes. We show that behavior of the correlation functions is governed by the number of generic tachyons involved and values of the kinematic invariants $s$, $t$ and $u$. Divergence of certain classes of correlators is shown to be the consequence of the fact certain kinematic invariants are non--positive integers in that case. Explicit examples are included. We check our results by standard conformal technique.
Reactive barriers for 137Cs retention.
Krumhansl, J L; Brady, P V; Anderson, H L
2001-02-01
137Cs was dispersed globally by cold war activities and, more recently, by the Chernobyl accident. Engineered extraction of 137Cs from soils and groundwaters is exceedingly difficult. Because the half-life of 137Cs is only 30.2 years, remediation might be more effective (and less costly) if 137Cs bioavailability could be demonstrably limited for even a few decades by use of a reactive barrier. Essentially permanent isolation must be demonstrated in those few settings where high nuclear level wastes contaminated the environment with 135Cs (half-life 2.3 x 10(6) years) in addition to 137Cs. Clays are potentially a low-cost barrier to Cs movement, though their long-term effectiveness remains untested. To identify optimal clays for Cs retention, Cs desorption was measured for five common clays: Wyoming Montmorillonite (SWy-1), Georgia Kaolinites (KGa-1 and KGa-2), Fithian Illite (F-Ill), and K-Metabentonite (K-Mbt). Exchange sites were pre-saturated with 0.16 M CsCl for 14 days and readily exchangeable Cs was removed by a series of LiNO3 and LiCl washes. Washed clays were then placed into dialysis bags and the Cs release to the deionized water outside the bags measured. Release rates from 75 to 139 days for SWy-1, K-Mbt and F-Ill were similar; 0.017% to 0.021% sorbed Cs released per day. Both kaolinites released Cs more rapidly (0.12% to 0.05% of the sorbed Cs per day). In a second set of experiments, clays were Cs-doped for 110 days and subjected to an extreme and prolonged rinsing process. All the clays exhibited some capacity for irreversible Cs uptake. However, the residual loading was greatest on K-Mbt (approximately 0.33 wt.% Cs). Thus, this clay would be the optimal material for constructing artifical reactive barriers.
Desorption Dynamics of Heavy Alkali Metal Atoms (Rb, Cs) off the Surface of Helium Nanodroplets
von Vangerow, J; Stienkemeier, F; Mudrich, M; Leal, A; Mateo, D; Hernando, A; Barranco, M; Pi, M
2014-01-01
We present a combined ion imaging and density functional theory study of the dynamics of the desorption process of rubidium and cesium atoms off the surface of helium nanodroplets upon excitation of the perturbed $6s$ and $7s$ states, respectively. Both experimental and theoretical results are well represented by the pseudodiatomic model for effective masses of the helium droplet in the desorption reaction of m_eff/m_He~10 (Rb) and 13 (Cs). Deviations from this model are found for Rb excited to the 6p state. Photoelectron spectra indicate that the dopant-droplet interaction induces relaxation into low-lying electronic states of the desorbed atoms in the course of the ejection process.
ac Stark effect in ultracold polar 87Rb133Cs molecules
Gregory, Philip D.; Blackmore, Jacob A.; Aldegunde, Jesus; Hutson, Jeremy M.; Cornish, Simon L.
2017-08-01
We investigate the effect of far-off-resonant trapping light on ultracold bosonic 87Rb133Cs molecules. We use kHz-precision microwave spectroscopy to measure the differential ac Stark shifts between the ground and first excited rotational levels of the molecule with hyperfine-state resolution. We demonstrate through both experiment and theory that coupling between neighboring hyperfine states manifests in rich structure with many avoided crossings. This coupling may be tuned by rotating the polarization of the linearly polarized trapping light. A combination of spectroscopic and parametric heating measurements allows complete characterization of the molecular polarizability at a wavelength of 1550 nm in both the ground and first excited rotational states.
Desorption dynamics of heavy alkali metal atoms (Rb, Cs) off the surface of helium nanodroplets.
von Vangerow, J; Sieg, A; Stienkemeier, F; Mudrich, M; Leal, A; Mateo, D; Hernando, A; Barranco, M; Pi, M
2014-08-21
We present a combined ion imaging and density functional theory study of the dynamics of the desorption process of rubidium and cesium atoms off the surface of helium nanodroplets upon excitation of the perturbed 6s and 7s states, respectively. Both experimental and theoretical results are well represented by the pseudodiatomic model for effective masses of the helium droplet in the desorption reaction of meff/mHe ≈ 10 (Rb) and 13 (Cs). Deviations from this model are found for Rb excited to the 6p state. Photoelectron spectra indicate that the dopant-droplet interaction induces relaxation into low-lying electronic states of the desorbed atoms in the course of the ejection process.
Masses and magnetic moments of ground-state baryons in covariant baryon chiral perturbation theory
Geng, L S; Alvarez-Ruso, L; Vicente-Vacas, M J
2012-01-01
We report on some recent developments in our understanding of the light-quark mass dependence and the SU(3) flavor symmetry breaking corrections to the magnetic moments of the ground-state baryons in a covariant formulation of baryon chiral perturbation theory, the so-called EOMS formulation. We show that this covariant ChPT exhibits some promising features compared to its heavy-baryon and infrared counterparts.
Diagrammatic perturbation theory applied to the ground state of the water molecule
Silver, D. M.; Wilson, S.
1977-01-01
The diagrammatic many-body perturbation theory is applied to the ground state of the water molecule within the algebraic approximation. Using four different basis sets, the total energy, the equilibrium OH bond length, and the equilibrium HOH bond angle are examined. The latter is found to be a particularly sensitive test of the convergence of perturbation expansions. Certain third-order results, which incorporate all two-, three-, and four-body effects, show evidence of good convergence properties.
Borders amidst power, State and mass media, from a critical theory standpoint
Directory of Open Access Journals (Sweden)
Manuel Ortiz Marín
2006-07-01
Full Text Available A conception of the power, from the glance of the Critical Theory that it allows to understand the woven complex that links the relations of power to most of the human activities. This paper also approaches to the State as a regulating element of the different forces from institutional character, that they operate in its interior like structures of power and the function as that the massive mass media in the complexity of the modern societies act.
Particle spectrum of the 3-state Potts field theory: a numerical study
Lepori, Luca; Delfino, Gesualdo
2009-01-01
The three-state Potts field theory in two dimensions with thermal and magnetic perturbations provides the simplest model of confinement allowing for both mesons and baryons, as well as for an extended phase with deconfined quarks. We study numerically the evolution of the mass spectrum of this model in its whole parameter range, obtaining a pattern of confinement, particle decay and phase transitions which confirms recent predictions.
Steady state Ab-initio Theory of Lasers with Injected Signals
Cerjan, Alexander
2013-01-01
We present an ab-initio treatment of steady-state lasing with injected signals that treats both multimode lasing and spatial hole burning, and describes the transition to injection locking or partial locking in the multimode case. The theory shows that spatial hole burning causes a shift in the frequency of free-running laser modes away from the injection frequency, in contrast to standard approaches.
THz spectroscopic investigation of chlorotoluron by solid-state density functional theory
Wang, Qiang; Wang, H. L.
2012-05-01
The terahertz time-domain spectrum (THz-TDS) of chlorotoluron has been simulated and assigned with solid-state density functional theory (DFT) in the range of 0.5-2.2 THz. The calculations based on the hybrid density functionals B3LYP and PW91 are performed to analyze the origins of observed spectral features in chlorotoluron THz spectra of solid-state forms using the software package CRYSTAL09. The computed THz spectrum of the B3LYP provides better agreements with observed THz spectral characters. Moreover, all the experimental THz absorption peaks are assigned utilizing the B3LYP method.
Energy Technology Data Exchange (ETDEWEB)
Chernov, S. V., E-mail: chernov@lpi.ru [Russian Academy of Sciences, Astrospace Center, Lebedev Physical Institute (Russian Federation)
2015-06-15
We consider the magnetohydrodynamic theory of spherically symmetric accretion of a perfect fluid onto a Schwarzschild black hole with an ultrahard equation of state, p = μ ∼ ρ{sup 2}, where p is the pressure, μ is the total energy density, and ρ is the fluid density. An approximate analytical solution is written out. We show that one critical sonic surface that coincides with the black hole event horizon is formed instead of two critical surfaces (fast and slow magnetosonic surfaces) for a degenerate ultrahard equation of state of matter.
Relative entropy of excited states in conformal field theories of arbitrary dimensions
Sárosi, Gábor
2016-01-01
Extending our previous work, we study the relative entropy between the reduced density matrices obtained from globally excited states in conformal field theories of arbitrary dimensions. We find a general formula in the small subsystem size limit. When one of the states is the vacuum of the CFT, our result matches with the holographic entanglement entropy computations in the corresponding bulk geometries, including AdS black branes. We also discuss the first asymmetric part of the relative entropy and comment on some implications of the results on the distinguishability of black hole microstates in AdS/CFT.
Single Cs Atoms as Collisional Probes in a large Rb Magneto-Optical Trap
Weber, Claudia; Spethmann, Nicolas; Meschede, Dieter; Widera, Artur
2010-01-01
We study cold inter-species collisions of Caesium and Rubidium in a strongly imbalanced system with single and few Cs atoms. Observation of the single atom fuorescence dynamics yields insight into light-induced loss mechanisms, while both subsystems can remain in steady-state. This significantly simplifies the analysis of the dynamics, as Cs-Cs collisions are effectively absent and the majority component remains unaffected, allowing us to extract a precise value of the Rb-Cs collision parameter. Extending our results to ground state collisions would allow to use single neutral atoms as coherent probes for larger quantum systems.
High-energy zero-norm states and symmetries of string theory.
Chan, Chuan-Tsung; Ho, Pei-Ming; Lee, Jen-Chi; Teraguchi, Shunsuke; Yang, Yi
2006-05-05
High-energy limit of zero-norm states in the old covariant first quantized spectrum of the 26D open bosonic string, together with the assumption of a smooth behavior of string theory in this limit, are used to derive infinitely many linear relations among the leading high-energy, fixed-angle behavior of four-point functions of different string states. As a result, ratios among all high-energy scattering amplitudes of four arbitrary string states can be calculated algebraically and the leading order amplitudes can be expressed in terms of that of four tachyons as conjectured by Gross in 1988. A dual calculation can also be performed and equivalent results are obtained by taking the high-energy limit of Virasoro constraints. Finally, we compute all high-energy scattering amplitudes of three tachyons and one massive state at the leading order by saddle-point approximation to verify our results.
Excited state surfaces in density functional theory: a new twist on an old problem.
Wiggins, Paul; Williams, J A Gareth; Tozer, David J
2009-09-07
Excited state surfaces in density functional theory and the problem of charge transfer are considered from an orbital overlap perspective. For common density functional approximations, the accuracy of the surface will not be uniform if the spatial overlap between the occupied and virtual orbitals involved in the excitation has a strong conformational dependence; the excited state surface will collapse toward the ground state in regions where the overlap is very low. This characteristic is used to predict and to provide insight into the breakdown of excited state surfaces in the classic push-pull 4-(dimethylamino)benzonitrile molecule, as a function of twist angle. The breakdown is eliminated using a Coulomb-attenuated functional. Analogous situations will arise in many molecules.
Dressed coherent states in finite quantum systems: A cooperative game theory approach
Vourdas, A.
2017-01-01
A quantum system with variables in Z(d) is considered. Coherent density matrices and coherent projectors of rank n are introduced, and their properties (e.g., the resolution of the identity) are discussed. Cooperative game theory and in particular the Shapley methodology, is used to renormalize coherent states, into a particular type of coherent density matrices (dressed coherent states). The Q-function of a Hermitian operator, is then renormalized into a physical analogue of the Shapley values. Both the Q-function and the Shapley values, are used to study the relocation of a Hamiltonian in phase space as the coupling constant varies, and its effect on the ground state of the system. The formalism is also generalized for any total set of states, for which we have no resolution of the identity. The dressing formalism leads to density matrices that resolve the identity, and makes them practically useful.
Mökkönen, Harri; Ala-Nissila, Tapio; Jónsson, Hannes
2016-09-07
The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort.
Mökkönen, Harri; Ala-Nissila, Tapio; Jónsson, Hannes
2016-09-01
The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort.
Photoassociative Production and Detection of Ultracold Polar RbCs Molecules
Institute of Scientific and Technical Information of China (English)
JI Zhong-Hua; ZHANG Hong-Shan; WU Ji-Zhou; YUAN Jin-Peng; ZHAO Yan-Ting; MA Jie; WANG Li-Rong; XIAO Lian-Tuan; JIA Suo-Tang
2011-01-01
@@ We have produced Ultracold polar RbCs molecules via photoassociation starting from laser-cooled s5Rb and 133 CS atoms in a dual-species, forced dark magneto-optical trap.The formed electronically excited RbCs* molecules correlated to the Rb(5S,12)+Cs(6P1/2) dissociation limit are observed by trap loss spectroscopy.Following the decay of these excited RbCs* molecules, the formed ground state molecules are directly ionized by a two-photon single-color pulse dye laser, which is a new ionization mechanism for ground state RbCs molecules and thence detected by time-of-flight mass spectroscopy.
Krommes, John A.; Hu, Genze
1993-11-01
The theory of Onsager symmetry is reconsidered from the point of view of its application to nonequilibrium, possibly turbulent steady states. A dynamical formalism based on correlation and response functions is used; understanding of its relationship to more conventional approaches based on entropy production enables one to resolve various confusions about the proper use of the theory, even near thermal equilibrium. Previous claims that ``kinematic'' flows must be excluded from considerations of Onsager symmetry are refuted by showing that suitably defined reversible and irreversible parts of the Onsager matrix separately obey the appropriate symmetry; fluctuating hydrodynamics serves as an example. It is shown that Onsager symmetries are preserved under arbitrary covariant changes of variables; the Weinhold metric is used as a fundamental tensor. Covariance is used to render moot the controversy over the proper choice of fluxes and forces in neoclassical plasma transport theory. The fundamental distinction between the fully contravariant Onsager matrix Lij and its mixed representation Lij is emphasized and used to explain why some previous workers have failed to find Onsager symmetry around turbulent steady states. The generalized Onsager theorem of Dufty and Rubí [Phys. Rev. A 36, 222 (1987)] is reviewed. An explicitly soluble Langevin problem is shown to violate Onsager's original symmetry but to obey the generalized theorem. The physical content of the generalized Onsager symmetry is discussed from the point of view of Nosé-Hoover dynamics. A set of extended Graham-Haken potential conditions are derived for Fokker-Planck models and shown to be consistent with the generalized Onsager relations. Finally, for quite general, possibly turbulent steady states it is argued that realizable Markovian statistical closures with underlying Langevin representations must also obey the generalized theorem. In the special case in which all state variables have even parity
Kreitner, Christoph; Heinze, Katja
2016-09-21
Deactivation pathways of the triplet metal-to-ligand charge transfer ((3)MLCT) excited state of cyclometalated polypyridine ruthenium complexes with [RuN5C](+) coordination are discussed on the basis of the available experimental data and a series of density functional theory calculations. Three different complex classes are considered, namely with [Ru(N^N)2(N^C)](+), [Ru(N^N^N)(N^C^N)](+) and [Ru(N^N^N)(N^N^C)](+) coordination modes. Excited state deactivation in these complex types proceeds via five distinct decay channels. Vibronic coupling of the (3)MLCT state to high-energy oscillators of the singlet ground state ((1)GS) allows tunneling to the ground state followed by vibrational relaxation (path A). A ligand field excited state ((3)MC) is thermally accessible via a (3)MLCT →(3)MC transition state with the (3)MC state being strongly coupled to the (1)GS surface via a low-energy minimum energy crossing point (path B). Furthermore, a (3)MLCT →(1)GS surface crossing point directly couples the triplet and singlet potential energy surfaces (path C). Charge transfer states either with higher singlet character or with different orbital parentage and intrinsic symmetry restrictions are thermally populated which promote non-radiative decay via tunneling to the (1)GS state (path D). Finally, the excited state can decay via phosphorescence (path E). The dominant deactivation pathways differ for the three individual complex classes. The implications of these findings for isoelectronic iridium(iii) or iron(ii) complexes are discussed. Ultimately, strategies for optimizing the emission efficiencies of cyclometalated polypyridine complexes of d(6)-metal ions, especially Ru(II), are suggested.
Towards a quantum gas of polar YbCs molecules
Freytag, R.; Petersen, M.; Hinds, E. A.; Tarbutt, M.; Butler, K.; Kemp, S.; Hopkins, S. A.; Brue, D. A.; Hutson, J. M.; Cornish, S. L.
2013-05-01
The potentials of ultracold polar molecules have been discussed with respect to quantum information processing and quantum simulation. This experiment focuses on the production of quantum degenerate YbCs molecules. We propose to magneto-associate the atoms over a Feshbach resonance and transfer them to the ground state using Stimulated Raman Adiabatic Passage (STIRAP). Ground state YbCs will, due to its single valence electron, exhibit an electric as well as a magnetic dipole moment. It should therefore demonstrate spin dependent interactions in addition to long-range dipole-dipole interactions. Here we outline the theoretical and experimental progress on creating a dual species Magneto-Optical Trap (MOT) of Yb and Cs. ESPRC
Precision measurement of the ionization energy of Cs I
Deiglmayr, Johannes; Saßmannshausen, Heiner; Jansen, Paul; Schmutz, Hansjürg; Merkt, Frédéric
2016-01-01
We present absolute-frequency measurements for the transitions from the 6s$_{1/2}$ ground state of $^{133}$Cs to $n$p$_{1/2}$ and $n$p$_{3/2}$ Rydberg states. The transition frequencies are determined by one-photon UV spectroscopy in ultracold samples of Cs atoms using a narrowband laser system referenced to a frequency comb. From a global fit of the ionization energy $E_\\mathrm{I}$ and the quantum defects of the two series we determine an improved value of $E_\\mathrm{I} = h c \\cdot 31 406.467 732 5(14)$ cm$^{-1}$ for the ionization energy of Cs with a relative uncertainty of $5\\times10^{-11}$. We also report improved values for the quantum defects of the $n$p$_{1/2}$, $n$p$_{3/2}$, $n$s$_{1/2}$, and $n$d$_{5/2}$ series.
Full-potential multiple scattering theory with space-filling cells for bound and continuum states.
Hatada, Keisuke; Hayakawa, Kuniko; Benfatto, Maurizio; Natoli, Calogero R
2010-05-12
We present a rigorous derivation of a real-space full-potential multiple scattering theory (FP-MST) that is free from the drawbacks that up to now have impaired its development (in particular the need to expand cell shape functions in spherical harmonics and rectangular matrices), valid both for continuum and bound states, under conditions for space partitioning that are not excessively restrictive and easily implemented. In this connection we give a new scheme to generate local basis functions for the truncated potential cells that is simple, fast, efficient, valid for any shape of the cell and reduces to the minimum the number of spherical harmonics in the expansion of the scattering wavefunction. The method also avoids the need for saturating 'internal sums' due to the re-expansion of the spherical Hankel functions around another point in space (usually another cell center). Thus this approach provides a straightforward extension of MST in the muffin-tin (MT) approximation, with only one truncation parameter given by the classical relation l(max) = kR(b), where k is the electron wavevector (either in the excited or ground state of the system under consideration) and R(b) is the radius of the bounding sphere of the scattering cell. Moreover, the scattering path operator of the theory can be found in terms of an absolutely convergent procedure in the l(max) --> ∞ limit. Consequently, this feature provides a firm ground for the use of FP-MST as a viable method for electronic structure calculations and makes possible the computation of x-ray spectroscopies, notably photo-electron diffraction, absorption and anomalous scattering among others, with the ease and versatility of the corresponding MT theory. Some numerical applications of the theory are presented, both for continuum and bound states.
Massof, Robert W.; Schmidt, Karen M.; Laby, Daniel M.; Kirschen, David; Meadows, David
2013-09-01
Visual acuity, a forced-choice psychophysical measure of visual spatial resolution, is the sine qua non of clinical visual impairment testing in ophthalmology and optometry patients with visual system disorders ranging from refractive error to retinal, optic nerve, or central visual system pathology. Visual acuity measures are standardized against a norm, but it is well known that visual acuity depends on a variety of stimulus parameters, including contrast and exposure duration. This paper asks if it is possible to estimate a single global visual state measure from visual acuity measures as a function of stimulus parameters that can represent the patient's overall visual health state with a single variable. Psychophysical theory (at the sensory level) and psychometric theory (at the decision level) are merged to identify the conditions that must be satisfied to derive a global visual state measure from parameterised visual acuity measures. A global visual state measurement model is developed and tested with forced-choice visual acuity measures from 116 subjects with no visual impairments and 560 subjects with uncorrected refractive error. The results are in agreement with the expectations of the model.
Cárdenas, Carlos; Ayers, Paul W; Cedillo, Andrés
2011-05-07
Density-functional-theory-based chemical reactivity indicators are formulated for degenerate and near-degenerate ground states. For degenerate states, the functional derivatives of the energy with respect to the external potential do not exist, and must be replaced by the weaker concept of functional variation. The resultant reactivity indicators depend on the specific perturbation. Because it is sometimes impractical to compute reactivity indicators for a specific perturbation, we consider two special cases: point-charge perturbations and Dirac delta function perturbations. The Dirac delta function perturbations provide upper bounds on the chemical reactivity. Reactivity indicators using the common used "average of degenerate states approximation" for degenerate states provide a lower bound on the chemical reactivity. Unfortunately, this lower bound is often extremely weak. Approximate formulas for the reactivity indicators within the frontier-molecular-orbital approximation and special cases (two or three degenerate spatial orbitals) are presented in the supplementary material. One remarkable feature that arises in the frontier molecular orbital approximation, and presumably also in the exact theory, is that removing electrons sometimes causes the electron density to increase at the location of a negative (attractive) Dirac delta function perturbation. That is, the energetic response to a reduction in the external potential can increase even when the number of electrons decreases.
Energy Technology Data Exchange (ETDEWEB)
Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)
2013-07-01
Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.
Unambiguous state discrimination of two density matrices in quantum information theory
Energy Technology Data Exchange (ETDEWEB)
Raynal, P.
2008-07-01
Quantum state discrimination is a fundamental task in quantum information theory. The signals are usually nonorthogonal quantum states, which implies that they can not be perfectly distinguished. One possible discrimination strategy is the so-called Unambiguous State Discrimination (USD) where the states are successfully identified with non-unit probability, but without error. The optimal USD measurement has been extensively studied in the case of pure states, especially for any pair of pure states. Recently, the problem of unambiguously discriminating mixed quantum states has attracted much attention. In the case of a pair of generic mixed states, no complete solution is known. In this thesis, we first present reduction theorems for optimal unambiguous discrimination of two generic density matrices. We show that this problem can be reduced to that of two density matrices that have the same rank r in a 2r-dimensional Hilbert space. These reduction theorems also allow us to reduce USD problems to simpler ones for which the solution might be known. As an application, we consider the unambiguous comparison of n linearly independent pure states with a simple symmetry. Moreover, lower bounds on the optimal failure probability have been derived. For two mixed states they are given in terms of the fidelity. Here we give tighter bounds as well as necessary and sufficient conditions for two mixed states to reach these bounds. We also construct the corresponding optimal measurement. With this result, we provide analytical solutions for unambiguously discriminating a class of generic mixed states. This goes beyond known results which are all reducible to some pure state case. We however show that examples exist where the bounds cannot be reached. Next, we derive properties on the rank and the spectrum of an optimal USD measurement. This finally leads to a second class of exact solutions. Indeed we present the optimal failure probability as well as the optimal measurement for
The retreat of multiculturalism in the liberal state: theory and policy.
Joppke, Christian
2004-06-01
This article discusses a recent retreat of multiculturalism in the liberal state. This retreat has occurred both at the level of theory and policy. With the help of some recent liberal critiques of multiculturalism, the first part maps out some shortcomings of the notion of minority integration through cultural recognition, particularly with respect to immigrants. The second part discusses a retreat from multiculturalism policies in three states that had been prominently committed to them: Australia, the Netherlands, and Britain. This practical retreat of multiculturalism is due to a variety of factors, their importance differing across cases: the chronic lack of public support for multiculturalism policies; inherent deficits and failures of multiculturalism policies, especially in socio-economic respect; and a new assertiveness of the liberal state to impose liberal principles.
Transition state theory: a generalization to nonequilibrium systems with power-law distributions
Jiulin, Du
2011-01-01
Transition state theory (TST) is generalized for the nonequilibrium system with power-law distributions. The stochastic dynamics that gives rise to the power-law distributions for the reaction coordinate and momentum is modeled by the Langevin equations and corresponding Fokker-Planck equations. It is assumed that the system far away from equilibrium has not to relax to a thermal equilibrium state with Boltzmann-Gibbs distribution, but asymptotically approaches to a nonequilibrium stationary-state with power-law distributions. Thus, we obtain a generalization of TST rates to nonequilibrium systems with power-law distributions. Furthermore, we derive the generalized TST rate constants for one-dimension and n-dimension Hamiltonian systems away from equilibrium, and receive a generalized Arrhenius rate for the system with power-law distributions.
Theory of the insulator ground state of the plutonium monochalcogenides: An LDA+DMFT investigation
Energy Technology Data Exchange (ETDEWEB)
Suzuki, Michi-To; Oppeneer, Peter M, E-mail: michi-to.suzuki@fysik.uu.se [Department of Physics and Materials Science, Box 530, Uppsala University, S-751 21 Uppsala (Sweden)
2010-03-15
The electronic structures and Kondo insulator state of the Pu monochalcogenides are computationally investigated, using the local density approximation (LDA), the LDA+U and dynamical mean field theory (LDA+DMFT) methods. We show that an enhanced hybridization of the Pu-5f state with the conduction bands occurs through the dynamical effect in the DMFT, which leads to the effective formation of a small energy gap around the Fermi level. Our LDA+DMFT calculations explain quantitatively the anomalous energy gap enhancement under pressure, observed for PuTe. The peculiar change of the energy gap of PuTe with pressure is found to result from a subtle crossover in the k-dispersion of the lowest excited states.
Equation of state of a relativistic theory from a moving frame.
Giusti, Leonardo; Pepe, Michele
2014-07-18
We propose a new strategy for determining the equation of state of a relativistic thermal quantum field theory by considering it in a moving reference system. In this frame, an observer can measure the entropy density of the system directly from its average total momentum. In the Euclidean path integral formalism, this amounts to computing the expectation value of the off-diagonal components T(0k) of the energy-momentum tensor in the presence of shifted boundary conditions. The entropy is, thus, easily measured from the expectation value of a local observable computed at the target temperature T only. At large T, the temperature itself is the only scale which drives the systematic errors, and the lattice spacing can be tuned to perform a reliable continuum limit extrapolation while keeping finite-size effects under control. We test this strategy for the four-dimensional SU(3) Yang-Mills theory. We present precise results for the entropy density and its step-scaling function in the temperature range 0.9T(c)-20T(c). At each temperature, we consider four lattice spacings in order to extrapolate the results to the continuum limit. As a by-product, we also determine the ultraviolet finite renormalization constant of T(0k) by imposing suitable Ward identities. These findings establish this strategy as a solid, simple, and efficient method for an accurate determination of the equation of state of a relativistic thermal field theory over several orders of magnitude in T.
Density of states techniques for lattice field theories using the functional fit approach (FFA)
Gattringer, Christof; Lehmann, Alexander; Törek, Pascal
2015-01-01
We discuss a variant of density of states (DoS) techniques for lattice field theories, the so-called "functional fit approach" (FFA). The DoS FFA is based on a density of states rho(x) which is parameterized on small intervals of the argument x of rho(x). On these intervals restricted Monte Carlo simulations with an additional Boltzmann factor exp(lambda x) allow to determine rho(x) very precisely by obtaining its parameters from fitting the Monte Carlo data to a known function of lambda. We describe the method in detail and show its applicability in four different systems, three of which have a complex action problem: The SU(3) spin model with a chemical potential, U(1) lattice gauge theory, the Z(3) spin model with chemical potential, and 2-dimensional U(1) lattice gauge theory with a topological term. In all cases we compare to reference calculations, which partly were done in a dual formulation where the complex action problem is absent. In all four cases we find a very encouraging performance of the DoS ...
PADÉ APPROXIMANTS FOR THE EQUATION OF STATE FOR RELATIVISTIC HYDRODYNAMICS BY KINETIC THEORY
Energy Technology Data Exchange (ETDEWEB)
Tsai, Shang-Hsi; Yang, Jaw-Yen, E-mail: shanghsi@gmail.com [Institute of Applied Mechanics, National Taiwan University, Taipei 10764, Taiwan (China)
2015-07-20
A two-point Padé approximant (TPPA) algorithm is developed for the equation of state (EOS) for relativistic hydrodynamic systems, which are described by the classical Maxwell–Boltzmann statistics and the semiclassical Fermi–Dirac statistics with complete degeneracy. The underlying rational function is determined by the ratios of the macroscopic state variables with various orders of accuracy taken at the extreme relativistic limits. The nonunique TPPAs are validated by Taub's inequality for the consistency of the kinetic theory and the special theory of relativity. The proposed TPPA is utilized in deriving the EOS of the dilute gas and in calculating the specific heat capacity, the adiabatic index function, and the isentropic sound speed of the ideal gas. Some general guidelines are provided for the application of an arbitrary accuracy requirement. The superiority of the proposed TPPA is manifested in manipulating the constituent polynomials of the approximants, which avoids the arithmetic complexity of struggling with the modified Bessel functions and the hyperbolic trigonometric functions arising from the relativistic kinetic theory.
Extending unified-theory-of-reinforcement neural networks to steady-state operant behavior.
Calvin, Olivia L; McDowell, J J
2016-06-01
The unified theory of reinforcement has been used to develop models of behavior over the last 20 years (Donahoe et al., 1993). Previous research has focused on the theory's concordance with the respondent behavior of humans and animals. In this experiment, neural networks were developed from the theory to extend the unified theory of reinforcement to operant behavior on single-alternative variable-interval schedules. This area of operant research was selected because previously developed neural networks could be applied to it without significant alteration. Previous research with humans and animals indicates that the pattern of their steady-state behavior is hyperbolic when plotted against the obtained rate of reinforcement (Herrnstein, 1970). A genetic algorithm was used in the first part of the experiment to determine parameter values for the neural networks, because values that were used in previous research did not result in a hyperbolic pattern of behavior. After finding these parameters, hyperbolic and other similar functions were fitted to the behavior produced by the neural networks. The form of the neural network's behavior was best described by an exponentiated hyperbola (McDowell, 1986; McLean and White, 1983; Wearden, 1981), which was derived from the generalized matching law (Baum, 1974). In post-hoc analyses the addition of a baseline rate of behavior significantly improved the fit of the exponentiated hyperbola and removed systematic residuals. The form of this function was consistent with human and animal behavior, but the estimated parameter values were not.
Mozart versus new age music: relaxation states, stress, and ABC relaxation theory.
Smith, Jonathan C; Joyce, Carol A
2004-01-01
Smith's (2001) Attentional Behavioral Cognitive (ABC) relaxation theory proposes that all approaches to relaxation (including music) have the potential for evoking one or more of 15 factor-analytically derived relaxation states, or "R-States" (Sleepiness, Disengagement, Rested / Refreshed, Energized, Physical Relaxation, At Ease/Peace, Joy, Mental Quiet, Childlike Innocence, Thankfulness and Love, Mystery, Awe and Wonder, Prayerfulness, Timeless/Boundless/Infinite, and Aware). The present study investigated R-States and stress symptom-patterns associated with listening to Mozart versus New Age music. Students (N = 63) were divided into three relaxation groups based on previously determined preferences. Fourteen listened to a 28-minute tape recording of Mozart's Eine Kleine Nachtmusik and 14 listened to a 28-minute tape of Steven Halpern's New Age Serenity Suite. Others (n = 35) did not want music and instead chose a set of popular recreational magazines. Participants engaged in their relaxation activity at home for three consecutive days for 28 minutes a session. Before and after each session, each person completed the Smith Relaxation States Inventory (Smith, 2001), a comprehensive questionnaire tapping 15 R-States as well as the stress states of somatic stress, worry, and negative emotion. Results revealed no differences at Session 1. At Session 2, those who listened to Mozart reported higher levels of At Ease/Peace and lower levels of Negative Emotion. Pronounced differences emerged at Session 3. Mozart listeners uniquely reported substantially higher levels of Mental Quiet, Awe and Wonder, and Mystery. Mozart listeners reported higher levels, and New Age listeners slightly elevated levels, of At Ease/Peace and Rested/Refreshed. Both Mozart and New Age listeners reported higher levels of Thankfulness and Love. In summary, those who listened to Mozart's Eine Kleine Nachtmusik reported more psychological relaxation and less stress than either those who listened to
Nakamura, Y; Yamanaka, Y; Ohkubo, S
2014-01-01
An effective field theory of $\\alpha$ cluster condensation is formulated as a spontaneously broken symmetry in quantum field theory to understand the raison d'\\^etre and nature of the Hoyle and $\\alpha$ cluster states in $^{12}$C. The Nambu-Goldstone and Higgs mode operators in infinite systems are replaced with a pair of canonical operators whose Hamiltonian gives rise to discrete energy states in addition to the Bogoliubov-de Gennes excited states. The calculations reproduce well the experimental spectrum of the $\\alpha$ cluster states. The existence of the Nambu-Goldstone-Higgs states is demonstrated.
Composite Fermion Theory for the Fractional Quantum Hall Wigner Crystal State
Narevich, Romanas; Murthy, Ganpathy; Fertig, Herbert
2000-03-01
The low filling fraction Quantum Hall Effect is reexamined using the recent hamiltonian composite fermion theory developed by Shankar and Murthy [SM] (R. Shankar and G. Murthy, Phys. Rev. Lett. 79), 4437, (1997); G. Murthy and R. Shankar, Chapter 4 of "Composite Fermions", O. Heinonen, Ed. (World Scientific, Teaneck, NJ, 1998).. Previous studies have either concentrated on Wigner crystal states of electrons in the Hartree-Fock approximation (D. Yoshioka and H. Fukuyama, J. Phys. Soc. Japan 47), 394 (1979); D. Yoshioka and P. A. Lee, Phys. Rev. B 27, 4986 (1983); A. H. MacDonald, Phys. Rev. B 30, 4392 (1984); R. Cote and A. H. MacDonald, Phys. Rev. B 44, 8759 (1991). or studied correlated crystal states numerically (P. K. Lam and S. M. Girvin, Phys. Rev. B 30), 473 (1984); H. Yi and H. A. Fertig, Phys. Rev. B, 58, 4019 (1998).. Using the new SM approach we study the correlated states as Hartree-Fock states of composite fermions, which is known to work reasonably well for translationally invariant composite fermion states. We present the calculation of the gaps for the stable states that we found as well as the dispersion relations of the collective modes.
Mean field theory of charge-density wave state in magnetic field
Grigoriev, Pavel; Lyubshin, Dmitrij
2005-03-01
We develop a mean field theory of charge-density wave (CDW) state in magnetic field and study properties of this state below the transition temperature. We show that the CDW state with shifted wave vector in high magnetic field (CDWx phase) has a double harmonic modulation on the most part of the phase diagram. At perfect nesting the single harmonic CDW state with shifted wave vector exists only in a very narrow region near the triple point. We show that the transition from CDW0 to CDWx state below the critical temperature is accompanied by a jump of the CDW order parameter and of the CDW wave vector rather than by their continuous increase. This implies a first order transition between these CDW states and explains a strong hysteresis accompanying this transition. The similarities between CDW in high magnetic field and nonuniform LOFF superconducting phase are pointed out. Our investigation provides a theoretical description for recent experiments on organic metal α-(BEDT-TTF)2KHg(SCN)4 and other compounds. In particular, we explain the higher value of the kink transition field and provide the calculation of the phase diagram in the case of perfect nesting.
Energy Minimization of Discrete Protein Titration State Models Using Graph Theory
Energy Technology Data Exchange (ETDEWEB)
Purvine, Emilie AH; Monson, Kyle E.; Jurrus, Elizabeth R.; Star, Keith T.; Baker, Nathan A.
2016-09-01
There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial-time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of maximum flow-minimum cut graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein, and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial-time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered.
Extension of the Neoclassical Theory of Capillarity to Advanced Cubic Equations of State
Wemhoff, Aaron P.
2010-02-01
The neoclassical Redlich-Kwong (RK) theory of capillarity is extended to the Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR) equations of state. Use of the SRK and PR fluid models results in poorer predictions of interfacial tension compared to the RK model because the RK overpredicts vapor densities to a greater extent than SRK or PR, reducing the corresponding RK interfacial tension predictions to be in better agreement with accepted values. The limits of the theory applied to cubic equations are reached by proposing modified SRK and PR fluid models based on a known interfacial tension datum and knowledge of the fluid molecular structure. These modified fluid models provide improved accuracy in interfacial tension predictions of 6% (SRK) and 10% (PR) for the fluid set in this study when compared to applying the RK model (17%). These modified fluid models also provide improved predictions of bulk liquid density, but sacrifice accuracy in pressure and vapor density predictions.
Sharma, Sandeep
2014-01-01
We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order wavefunctions so obtained can also be used to compute the third order energy with little overhead. Our formulation has several advantages including (i) flexibility with respect to the choice of zeroth order Hamiltonian, (ii) recovery of the exact uncontracted multi-reference perturbation theory energies in the limit of large MPS bond dimension, (iii) no requirement to compute high body density matrices, (iv) an embarrassingly parallel algorithm (scaling up to the number of virtual orbitals, squared, processors). Preliminary numerical examples show that the MPS bond dimension required for accurate first order wavefunctions scales sub-linearly with the size of the basis.
State-of-the-art of beyond mean field theories with nuclear density functionals
Egido, J Luis
2016-01-01
We present an overview of beyond mean field theories (BMFT) based on the generator coordinate method (GCM) and the recovery of symmetries used in nuclear physics with effective forces. After a reminder of the Hartree-Fock-Bogoliubov (HFB) theory a discussion of the shortcomings of any mean field approximation (MFA) is presented. The recovery of the symmetries spontaneously broken in the HFB approach, in particular the angular momentum, is necessary, among others, to describe excited states and transitions. Particle number projection is needed to guarantee the right number of protons and neutrons. Furthermore a projection before the variation prevents the pairing collapse in the weak pairing regime. The lack of fluctuations around the average values of the MFA is a shortcoming of this approach. To build in correlations in BMFT one selects the relevant degrees of freedom: quadrupole, octupole and the pairing vibrations as well as the single particle ones. In the GCM the operators representing these degrees of f...
Cook-Craig, Patricia G.
2010-01-01
This article examines the role that social network theory and social network analysis has played in assessing and developing effective primary prevention networks across a southeastern state. In 2004 the state began an effort to develop a strategic plan for the primary prevention of violence working with local communities across the state. The…
Energy Technology Data Exchange (ETDEWEB)
Rodriguez Vegas, E.; Gasco Leonarte, C.; Schmid, T.; Suarez, J. A.; Rodriguez Rastrero, M.; Almorox Alonso, J.
2013-07-01
Radionuclides are largely used as tools for studying and quantifying soil erosion. The global fallout of artificial radionuclides derived from weapons testing (1945-1970) was rapidly and firmly fixed in soil surface horizons. This allowed determining soil erosion by comparing 137{sup C}s inventories at individual sampling points with a reference inventory. This procedure is complemented with the 210{sup P}buns inventory calculation as an indicator of the local average of radionuclides deposition. Spectro radiometry is implemented to associate soil reflectance measurements to physical and chemical soil properties related to soil erosion processes obtained from laboratory analyses. The methodology applies both instrumental techniques in soil samples from a semiarid agricultural area near to Camarena (Toledo). The resulting inventories obtained for 137{sup C}s and 210{sup P}bexc are similar to the Spanish reference allowing comparation. Spectro radiometry results correlate well with soil properties measured in the laboratory and can be applied to determine these properties more quickly and easily, as well as for integration with gamma spectrometry results. This is a preliminary study to identify soils affected by erosion that is presented as a Master thesis of the Official Master Degree: {sup A}gro- Environmental Technology for a Sustainable Agriculture{sup ,} of the Technical University of Madrid - School of Agricultural Engineers (UPM-ETSI). Coherent and complimentary results are obtained applying both instrumental techniques within this agricultural area.. (Author)
Spectral fine structure of the atomic ground states based on full relativistic theory
Institute of Scientific and Technical Information of China (English)
Zhenghe Zhu; Yongjian Tang
2011-01-01
@@ We focus on the full relativistic quantum mechanical calculations from boron to fluorine atoms with electronic configuration of 1s22s22pn (n = 1, 2, 3, 4, and 5), where 1s22s2 is the closed shell and 2pn is the open shell. Their active electrons in the open shell occupy all the six spinors as far as possible.Therefore, we suggest a new rule called "maximum probability" for the full symmetry group relativistic theory. Furthermore, the spectral fine structure of the atomic ground states based on the full relativistic theory and their intervals of L-S splitting are all reasonable. It is impossible to calculate the L-S splitting through non-relativistic quantum mechanics. The relativistic effect of atomic mass is increased significantly by about 12 folds from boron atom to fluorine atom.%We focus on the full relativistic quantum mechanical calculations from boron to fluorine atoms with electronic configuration of 1s22s22pn (n = 1, 2, 3, 4, and 5), where 1s22s2 is the closed shell and 2pn is the open shell. Their active electrons in the open shell occupy all the six spinors as far as possible.Therefore, we suggest a new rule called "maximum probability" for the full symmetry group relativistic theory. Furthermore, the spectral fine structure of the atomic ground states based on the full relativistic theory and their intervals of L-S splitting are all reasonable. It is impossible to calculate the L-S splitting through non-relativistic quantum mechanics. The relativistic effect of atomic mass is increased significantly by about 12 folds from boron atom to fluorine atom.
Parent Hamiltonians for lattice Halperin states from free-boson conformal field theories
Directory of Open Access Journals (Sweden)
Anna Hackenbroich
2017-03-01
Full Text Available We introduce a family of many-body quantum states that describe interacting spin one-half hard-core particles with bosonic or fermionic statistics on arbitrary one- and two-dimensional lattices. The wave functions at lattice filling fraction ν=2/(2m+1 are derived from deformations of the Wess–Zumino–Witten model su(31 and are related to the (m+1,m+1,m Halperin fractional quantum Hall states. We derive long-range SU(2 invariant parent Hamiltonians for these states which in two dimensions are chiral t–J–V models with additional three-body interaction terms. In one dimension we obtain a generalisation to open chains of a periodic inverse-square t–J–V model proposed in [25]. We observe that the gapless low-energy spectrum of this model and its open-boundary generalisation can be described by rapidity sets with the same generalised Pauli exclusion principle. A two-component compactified free boson conformal field theory is identified as the low-energy effective theory for the periodic inverse-square t–J–V model.
Decoupling of Degenerate Positive-norm States in Witten's String Field Theory
Kao, H C; Kao, Hsien-Chung; Lee, Jen-Chi
2003-01-01
We show that the degenerate positive-norm physical propagating fields of the open bosonic string can be gauged to the higher rank fields at the same mass level. As a result, their scattering amplitudes can be determined from those of the higher spin fields. This phenomenon arises from the existence of two types of zero-norm states with the same Young representations as that of the degenerates positive-norm states in the old covariant first quantized (OCFQ) spectrum. It is demonstrated by using the lowest order gauge transformation of Witten's string field theory (WSFT) up to the fourth massive level (spin-five), and is found to be consistent with conformal field theory calculation based on the first quantized generalized sigma-model approach. In particular, on-shell conditions of zero-norm states in OCFQ stringy gauge transformation are found to correspond, in a one-to-one manner, to the background ghost fields in off-shell gauge transformation of WSFT. The implication of decoupling of scalar modes on Sen's c...
Decoupling of degenerate positive-norm states in Witten's string field theory
Kao, Hsien-Chung; Lee, Jen-Chi
2003-04-01
We show that the degenerate positive-norm physical propagating fields of the open bosonic string can be gauged to the higher rank fields at the same mass level. As a result, their scattering amplitudes can be determined from those of the higher spin fields. This phenomenon arises from the existence of two types of zero-norm states with the same Young representations as those of the degenerate positive-norm states in the old covariant first quantized (OCFQ) spectrum. This is demonstrated by using the lowest order gauge transformation of Witten’s string field theory (WSFT) up to the fourth massive level (spin-five), and is found to be consistent with conformal field theory calculation based on the first quantized generalized sigma-model approach. In particular, on-shell conditions of zero-norm states in the OCFQ stringy gauge transformation are found to correspond, in a one-to-one manner, to the background ghost fields in off-shell gauge transformation of WSFT. The implication of decoupling of scalar modes on Sen’s conjectures is also briefly discussed.
A Series RCL Circuit Theory for Analyzing Non-Steady-State Water Uptake of Maize Plants
Zhuang, Jie; Yu, Gui-Rui; Nakayama, Keiichi
2014-10-01
Understanding water uptake and transport through the soil-plant continuum is vital for ecosystem management and agricultural water use. Plant water uptake under natural conditions is a non-steady transient flow controlled by root distribution, plant configuration, soil hydraulics, and climatic conditions. Despite significant progress in model development, a mechanistic description of transient water uptake has not been developed or remains incomplete. Here, based on advanced electrical network theory (RLC circuit theory), we developed a non-steady state biophysical model to mechanistically analyze the fluctuations of uptake rates in response to water stress. We found that the non-steady-state model captures the nature of instantaneity and hysteresis of plant water uptake due to the considerations of water storage in plant xylem and coarse roots (capacitance effect), hydraulic architecture of leaf system (inductance effect), and soil-root contact (fuse effect). The model provides insights into the important role of plant configuration and hydraulic heterogeneity in helping plants survive an adverse environment. Our tests against field data suggest that the non-steady-state model has great potential for being used to interpret the smart water strategy of plants, which is intrinsically determined by stem size, leaf size/thickness and distribution, root system architecture, and the ratio of fine-to-coarse root lengths.
Chai, Shuo; Yu, Jie; Han, Yong-Chang; Cong, Shu-Lin
2013-11-01
Aminopyrazine (AP) and AP-methanol complexes have been theoretically studied by using density functional theory (DFT) and time-dependent density functional theory (TDDFT). The excited-state hydrogen bonds are discussed in detail. In the ground state the intermolecular multiple hydrogen bonds can be formed between AP molecule and protic solvents. The AP monomer and hydrogen-bonded complex of AP with one methanol are photoexcited initially to the S2 state, and then transferred to the S1 state via internal conversion. However the complex of AP with two methanol molecules is directly excited to the S1 state. From the calculated electronic excited energies and simulated absorption spectra, we find that the intermolecular hydrogen bonds are strengthened in the electronic excited states. The strengthening is confirmed by the optimized excited-state geometries. The photochemical processes in the electronic excited states are significantly influenced by the excited-state hydrogen bond strengthening.
ITER CS Model Coil and CS Insert Test Results
Energy Technology Data Exchange (ETDEWEB)
Martovetsky, N; Michael, P; Minervina, J; Radovinsky, A; Takayasu, M; Thome, R; Ando, T; Isono, T; Kato, T; Nakajima, H; Nishijima, G; Nunoya, Y; Sugimoto, M; Takahashi, Y; Tsuji, H; Bessette, D; Okuno, K; Ricci, M
2000-09-07
The Inner and Outer modules of the Central Solenoid Model Coil (CSMC) were built by US and Japanese home teams in collaboration with European and Russian teams to demonstrate the feasibility of a superconducting Central Solenoid for ITER and other large tokamak reactors. The CSMC mass is about 120 t, OD is about 3.6 m and the stored energy is 640 MJ at 46 kA and peak field of 13 T. Testing of the CSMC and the CS Insert took place at Japan Atomic Energy Research Institute (JAERI) from mid March until mid August 2000. This paper presents the main results of the tests performed.
Encapsulation of Cs/Sr contaminated clinoptilolite in geopolymers produced from metakaolin
Energy Technology Data Exchange (ETDEWEB)
Kuenzel, C., E-mail: c.kuenzel08@imperial.ac.uk [Department of Civil and Environmental Engineering, Imperial College London, South Kensington Campus, London SW72AZ (United Kingdom); Centre for Advanced Structural Ceramics, Department of Materials, Imperial College London, South Kensington Campus, London SW72AZ (United Kingdom); Cisneros, J.F. [Department of Civil and Environmental Engineering, Imperial College London, South Kensington Campus, London SW72AZ (United Kingdom); Neville, T.P. [Centre for CO_2 Technology, Department of Chemical Engineering, University College London, Gower Street, London WC1E6JE (United Kingdom); Vandeperre, L.J. [Centre for Advanced Structural Ceramics, Department of Materials, Imperial College London, South Kensington Campus, London SW72AZ (United Kingdom); Simons, S.J.R.; Bensted, J. [Centre for CO_2 Technology, Department of Chemical Engineering, University College London, Gower Street, London WC1E6JE (United Kingdom); Cheeseman, C.R. [Department of Civil and Environmental Engineering, Imperial College London, South Kensington Campus, London SW72AZ (United Kingdom)
2015-11-15
The encapsulation of caesium (Cs) and strontium (Sr) contaminated clinoptilolite in Na and K based metakaolin geopolymers is reported. When Cs or Sr loaded clinoptilolite is mixed with a metakaolin geopolymer paste, the high pH of the activating solution and the high concentration of ions in solution cause ion exchange reactions and dissolution of clinoptilolite with release of Cs and Sr into the geopolymer matrix. The leaching of Cs and Sr from metakaolin-based geopolymer has therefore been investigated. It was found that Na-based geopolymers reduce leaching of Cs compared to K-based geopolymers and the results are in agreement with the hard and soft acids and bases (HSAB) theory. Cs ions are weak Lewis acids and aluminates are a weak Lewis base. During the formation of the geopolymer matrix Cs ions are preferentially bound to aluminate phases and replace Na in the geopolymer structure. Sr uptake by Na-geopolymers is limited to 0.4 mol Sr per mole of Al and any additional Sr is immobilised by the high pH which causes precipitation of Sr as low solubility hydroxide and carbonate phases. There was no evidence of any other phases being formed when Sr or Cs are added to metakaolin geopolymers. - Highlights: • Leaching. • Encapsulation of Cs and Sr. • Nuclear waste. • Clinoptilolite.
The Evolution of the Theory and Practice of State Regulation of Addictive Goods Markets
Directory of Open Access Journals (Sweden)
Roman Yuryevich Skokov
2016-03-01
Full Text Available The article discusses the evolution of state regulation of the market of addictive goods and services in the context of the periodization of ideas about the role of the state in the economy in general, in historical and economic era, in the formation of the species of addictive goods markets. In the age of mercantilism the sphere of regulation of addictive goods markets was not the subject of attention of economists, but in practice there is an idea of the need for state protectionism. During its criticism in the framework of the theory of physiocrats and in the beginning of the classical school, alcohol products become a subject of research of economists, as the major source of budgetary funds. The abolition of serfdom, the development of private industrial activity, changing the farming tax system to the excise tax, indicate the penetration of traditional liberal principles in domestic economy in the field of addictive goods. The German historical schools focused on the active role of the state with respect to national peculiarities of the economy, found support and development in the works of Russian scientists that support the alcohol and tobacco monopoly. In the Soviet period the principles of Marxist political economy were formed on the basis of total nationalization of production and distribution of allowed addictive goods. The margin school is characterized by psychological interpretation of economic processes in the field of addictive goods under the conditions of perfect competition, in particular the role of consumers in the pricing. In the period of theoretical struggle of monetarism against keynesianism, which coincided with the drug boom, there were areas of economics of crime and punishment, drugs. In the neoliberalism period the antiprohibitionist movement was formed in the field of addictive goods. Changing some postulates of neoclassical economics by neo-institutional economic theory contributed to the development of empirical
Higuchi, Yohei; Hisamatsu, Tamotsu
2015-08-01
Chrysanthemums require repeated cycles of short-day (SD) photoperiod for successful anthesis, but their vegetative state is strictly maintained under long-day (LD) or night-break (NB) conditions. We have previously demonstrated that photoperiodic flowering of a wild diploid chrysanthemum (Chrysanthemum seticuspe f. boreale) is controlled by a pair of systemic floral regulators, florigen (CsFTL3) and anti-florigen (CsAFT), produced in the leaves. Here, we report the functional characterisation of a local floral regulator, CsTFL1, a chrysanthemum orthologue of TERMINAL FLOWER 1 gene in Arabidopsis. Constitutive expression of CsTFL1 in C. seticuspe (CsTFL1-ox) resulted in extremely late flowering under SD and prevented up-regulation of floral meristem identity genes in shoot tips and leaves. Bimolecular fluorescence complementation assay showed that both CsTFL1 and CsFTL3 interacted with CsFDL1, a bZIP transcription factor FD homologue, in the nucleus. The transient gene expression assay indicated that CsTFL1 suppresses flowering by directly antagonising the flower inductive activity of the CsFTL3-CsFDL1 complex. Our results suggest that strict maintenance of vegetative state under non-inductive photoperiod is achieved by the coordinated action of both the systemic floral inhibitor and local floral inhibitor CsTFL1, which is constitutively expressed in shoot tips.
Decoherence and thermalization of a pure quantum state in quantum field theory.
Giraud, Alexandre; Serreau, Julien
2010-06-11
We study the real-time evolution of a self-interacting O(N) scalar field initially prepared in a pure, coherent quantum state. We present a complete solution of the nonequilibrium quantum dynamics from a 1/N expansion of the two-particle-irreducible effective action at next-to-leading order, which includes scattering and memory effects. We demonstrate that, restricting one's attention (or ability to measure) to a subset of the infinite hierarchy of correlation functions, one observes an effective loss of purity or coherence and, on longer time scales, thermalization. We point out that the physics of decoherence is well described by classical statistical field theory.
Metacognition: state-of-the-art learning theory implications for clinical nursing education.
Beitz, J M
1996-04-01
Clinical nursing education represents one of the most challenging aspects of the faculty role because nursing educators are being required to teach crucial aspects of comprehensive clinical practice to students in limited time periods and in increasingly demanding, high-acuity affiliation sites. State-of-the-art research in metacognition provides a stimulating array of instructional strategies that can assist in this process and provide an impetus for further cognitive inquiry in nursing. The article analyzes metacognition, explores its historical roots, delineates its relationship to memory theory, and describes a range of metacognitive strategies that are useful to faculty and students in nursing.
Derivation of Martin-Hou Equation of State from Hard-particle Perturbation Theory
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
In this paper, the Martin-Hou equation of state is derived by using a power series representation of radial distribution function and an analytic representation of multi-section potential based on the Barker-Henderson hard-particle perturbation theory including high-order terms. In the derivation, a theoretical form of Martin-Hou equation was obtained. It had a similar form and the same capability to predict P-V-T properties as the Martin-Hou equation and no additional data were required for evaluating the constants. The characteristic constants of the theoretical expression have certain relationships with the molecular parameters.
Asymptotic states and renormalization in Lorentz-violating quantum field theory
Cambiaso, Mauro; Potting, Robertus
2014-01-01
Asymptotic single-particle states in quantum field theories with small departures from Lorentz symmetry are investigated. To this end, one-loop radiative corrections for a sample Lorentz-violating Lagrangian contained in the Standard-Model Extension (SME) are studied. It is found that the spinor kinetic operator is modified in momentum space by Lorentz-violating operators not present in the original Lagrangian. It is demonstrated how both the standard renormalization procedure as well as the Lehmann-Symanzik-Zimmermann reduction formalism need to be adapted as a consequence of this result.
Symmetry breaking in noncommutative finite temperature λphi4 theory with a nonuniform ground state
Hernández, J. M.; Ramírez, C.; Sánchez, M.
2014-05-01
We consider the CJT effective action at finite temperature for a noncommutative real scalar field theory, with noncommutativity among space and time variables. We study the solutions of a stripe type nonuniform background, which depends on space and time. The analysis in the first approximation shows that such solutions appear in the planar limit, but also under normal anisotropic noncommutativity. Further we show that the transition from the uniform ordered phase to the non uniform one is first order and that the critical temperature depends on the nonuniformity of the ground state.
Fluorescence polarization studies of autoionization in CS2
Poliakoff, E. D.; Dehmer, J. L.; Parr, A. C.; Leroi, G. E.
1987-03-01
The fluorescence polarization spectrum of CS2(+) produced by photoionization of CS2 (using synchrotron radiation from the NBS SURF-II electron-storage ring) at excitation wavelengths 875-967 A is investigated experimentally, with a focus on autoionization features. The results of polarization measurements for the A2Pi-X2Pi transition are presented in graphs and compared with spectra simulated using the procedure of Poliakoff et al. (1982); qualitative agreement is obtained, but quantitative discrepancies are noted, especially on the low-wavelength side of the resonance. The spectral assignments of Ogawa and Chang (1970) for the autoionizing Rydberg states are confirmed.
Hele, Timothy J H; Althorpe, Stuart C
2013-02-28
Surprisingly, there exists a quantum flux-side time-correlation function which has a non-zero t → 0+ limit and thus yields a rigorous quantum generalization of classical transition-state theory (TST). In this Part I of two articles, we introduce the new time-correlation function and derive its t → 0+ limit. The new ingredient is a generalized Kubo transform which allows the flux and side dividing surfaces to be the same function of path-integral space. Choosing this function to be a single point gives a t → 0+ limit which is identical to an expression introduced on heuristic grounds by Wigner in 1932; however, this expression does not give positive-definite quantum statistics, causing it to fail while still in the shallow-tunnelling regime. Positive-definite quantum statistics is obtained only if the dividing surface is invariant to imaginary-time translation, in which case the t → 0+ limit is identical to ring-polymer molecular dynamics (RPMD) TST. The RPMD-TST rate is not a strict upper bound to the exact quantum rate, but is a good approximation to one if real-time coherence effects are small. Part II will show that the RPMD-TST rate is equal to the exact quantum rate in the absence of recrossing.
State refinements and coarse graining in a full theory embedding of loop quantum cosmology
Bodendorfer, N.
2017-07-01
Bridging between descriptions involving few large and many small quantum numbers is the main open problem in loop quantum gravity. In other words, one would like to be able to represent the same physical system in terms of a few ‘coarse’ quantum numbers, while the effective dynamics at the coarse level should agree with the one induced by a description involving many small quantum numbers. Efforts to understand this relationship face the problem of the enormous computational complexity involved in evolving a generic state containing many quanta. In a cosmological context however, certain symmetry assumptions on the quantum states allow one to simplify the problem. In this paper, we will show how quantum states describing a spatially flat homogeneous and isotropic universe can be refined and coarse grained. Invariance of the dynamics of the coarse observables is shown to require a certain scaling property (familiar from loop quantum cosmology) of the quantum states if no running of parameters is taken into account. The involved states are solutions to the Hamiltonian constraint when terms coming from spatial derivatives are neglected, i.e. one works in the approximation of non-interacting FRW patches. The technical means to arrive at this result are a version of loop quantum gravity based on variables inspired by loop quantum cosmology, as well as an exact solution to the quantum dynamics of loop quantum cosmology which extends to the full theory in the chosen approximation.
Action-State Orientation and the Theory of Planned Behavior: A Study of Job Search in China
Song, Zhaoli; Wanberg, Connie; Niu, Xiongying; Xie, Yizhong
2006-01-01
Job search is an important element of people's careers and is especially critical for unemployed individuals. The current study surveyed a sample of 328 unemployed job seekers in China to test hypotheses related to the theory of planned behavior and action-state orientation theory. Results of the three-wave longitudinal study demonstrated that the…
Action-State Orientation and the Theory of Planned Behavior: A Study of Job Search in China
Song, Zhaoli; Wanberg, Connie; Niu, Xiongying; Xie, Yizhong
2006-01-01
Job search is an important element of people's careers and is especially critical for unemployed individuals. The current study surveyed a sample of 328 unemployed job seekers in China to test hypotheses related to the theory of planned behavior and action-state orientation theory. Results of the three-wave longitudinal study demonstrated that the…
Accurate Ground-State Energies of Solids and Molecules from Time-Dependent Density-Functional Theory
DEFF Research Database (Denmark)
Olsen, Thomas; Thygesen, Kristian Sommer
2014-01-01
We demonstrate that ground-state energies approaching chemical accuracy can be obtained by combining the adiabatic-connection fluctuation-dissipation theorem with time-dependent densityfunctional theory. The key ingredient is a renormalization scheme, which eliminates the divergence...
Kobori, Yasuhiro; Fuki, Masaaki; Murai, Hisao
2010-11-18
We present a theoretical model of analysis of the time-resolved electron paramagnetic resonance (TREPR) spectrum of the charge-separated (CS) state generated by the photoinduced electron transfer (ET) reaction via the locally excited triplet state in an electron donor-acceptor (D-A) system with a fixed molecular orientation. We show, by the stochastic-Liouville equation, that chemically induced dynamic electron polarization (CIDEP) of the triplet mechanism is explained by lack of transfer of quantum coherence terms in the primary triplet spin state, resulting in net emissive or absorptive electron spin polarization (ESP) which is dependent on anisotropy of the singlet-triplet intersystem crossing in the precursor excited state. This disappearance of the coherence is clearly shown to occur when the photoinduced ET rate is smaller than the angular frequency of the Zeeman splitting: the transferred coherence terms are averaged to be zero due to effective quantum oscillations during the time that the chemical reaction proceeds. The above theory has been applied to elucidate the molecular geometries and spin-spin exchange interactions (2J) of the CS states for both folded and extended conformers by computer simulations of TREPR spectra of the zinc porphyrin-fullerene dyad (ZnP-C(60)) bridged by diphenyldisilane. On the extended conformation, the electronic coupling is estimated from the 2J value. It has been revealed that the coupling term is smaller than the reported electronic interactions of the porphyrin-C(60) systems bridged by diphenylamide spacers. The difference in the electronic couplings has been explained by the difference in the LUMO levels of the bridge moieties that mediate the superexchange coupling for the long-range ET reaction.
Relative entropy of excited states in two dimensional conformal field theories
Sárosi, Gábor
2016-01-01
We study the relative entropy and the trace square distance, both of which measure the distance between reduced density matrices of two excited states in two dimensional conformal field theories. We find a general formula for the relative entropy between two primary states with the same conformal dimension in the limit of a single small interval and find that in this case the relative entropy is proportional to the trace square distance. We check our general formulae by calculating the relative entropy between two generalized free fields and the trace square distance between the spin and disorder operators of the critical Ising model. We also give the leading term of the relative entropy in the small interval expansion when the two operators have different conformal dimensions. This turns out to be universal when the CFT has no primaires lighter than the stress tensor. The result reproduces the previously known special cases.
Thorpe, Charles; Jacobson, Brynna
2013-03-01
Anthony Giddens' The Politics of Climate Change represents a significant shift in the way in which he addresses ecological politics. In this book, he rejects the relevance of environmentalism and demarcates climate-change policy from life politics. Giddens addresses climate change in the technocratic mode of simple rather than reflexive modernization. However, Giddens' earlier sociological theory provides the basis for a more reflexive understanding of climate change. Climate change instantiates how, in high modernity, the existential contradiction of the human relationship with nature returns in new form, expressed in life politics and entangled with the structural contradictions of the capitalist state. The interlinking of existential and structural contradiction is manifested in the tension between life politics and the capitalist nation-state. This tension is key for understanding the failures so far of policy responses to climate change.
Hagemann, Dirk; Naumann, Ewald; Thayer, Julian F; Bartussek, Dieter
2002-04-01
Recent research on brain asymmetry and emotion treated measures of resting electroencephalograph (EEG) asymmetry as genuine trait variables, but inconsistency in reported findings and modest retest correlations of baseline asymmetry are not consistent with this practice. The present study examined the alternative hypothesis that resting EEG asymmetry represents a superimposition of a traitlike activation asymmetry with substantial state-dependent fluctuations. Resting EEG was collected from 59 participants on 4 occasions of measurement, and data were analyzed in terms of latent state-trait theory. For most scalp regions, about 60% of the variance of the asymmetry measure was due to individual differences on a temporally stable latent trait, and 40% of the variance was due to occasion-specific fluctuations, but measurement errors were negligible. Further analyses indicated that these fluctuations might be efficiently reduced by aggregation across several occasions.
Directory of Open Access Journals (Sweden)
L. M. Sapegin
2011-01-01
Full Text Available Investigation results of the contamination with 137Cs and 90Sr of the plants from natural ecosystems of four objects are being presented. 45 plant samples and 24 soil samples were analyzed. It was revealed that the permissible level for the 137Cs content of 370 Bq/kg, is exceeded for 21 samples (46.7 %. Content of 90Sr in plants varied from 3 Bq/kg to 544 Bq/kg. Most part of the radionuclides still remains in the upper soil horizons. Plant species specificity concerning the radionuclide accumulation depends on the composition of the natural ecosystem, type of soil, its agrochemical composition and humidity.
A test of Spielberger's state-trait theory of anger with adolescents: five hypotheses.
Quinn, Colleen A; Rollock, David; Vrana, Scott R
2014-02-01
Spielberger's state-trait theory of anger was investigated in adolescents (n = 201, ages 10-18, 53% African American, 47% European American, 48% female) using Deffenbacher's five hypotheses formulated to test the theory in adults. Self-reported experience, heart rate (HR), systolic blood pressure (SBP), and diastolic blood pressure (DBP) responses to anger provoking imagery scripts found strong support for the application of this theory to adolescents. Compared with the low trait anger (LTA) group, adolescents with high trait anger (HTA) produced increased HR, SBP, and DBP, and greater self-report of anger to anger imagery (intensity hypothesis) but not greater self-report or cardiovascular reactivity to fear or joy imagery (discrimination hypothesis). The HTA group also reported greater frequency and duration of anger episodes and had longer recovery of SBP response to anger (elicitation hypothesis). The HTA group was more likely to report negative health, social, and academic outcomes (consequence hypothesis). Adolescents with high hostility reported more maladaptive coping with anger, with higher anger-in and anger-out than adolescents with low hostility (negative expression hypothesis). The data on all five hypotheses supported the notion that trait anger is firmly entrenched by the period of adolescence, with few developmental differences noted from the adult literature.
Probing the finite density equation of state of QCD via resummed perturbation theory
Mogliacci, Sylvain
2014-01-01
In this Ph.D. thesis, the primary goal is to present a recent investigation of the finite density thermodynamics of hot and dense quark-gluon plasma. As we are interested in a temperature regime, in which naive perturbation theory is known to lose its predictive power, we clearly need to use a refined approach. To this end, we adopt a resummed perturbation theory point of view and employ two different frameworks. We first use hard-thermal-loop perturbation theory (HLTpt) at leading order to obtain the pressure for nonvanishing quark chemical potentials, and next, inspired by dimensional reduction, resum the known four-loop weak coupling expansion for the quantity. We present and analyze our findings for various cumulants of conserved charges. This provides us with information, through correlations and fluctuations, on the degrees of freedom effectively present in the quark-gluon plasma right above the deconfinement transition. Moreover, we compare our results with state-of-the-art lattice Monte Carlo simulati...
Non-equilibrium steady states in the Klein-Gordon theory
Doyon, Benjamin; Lucas, Andrew; Schalm, Koenraad; Bhaseen, M. J.
2015-03-01
We construct non-equilibrium steady states in the Klein-Gordon theory in arbitrary space dimension d following a local quench. We consider the approach where two independently thermalized semi-infinite systems, with temperatures {{T}L} and {{T}R}, are connected along a d-1-dimensional hypersurface. A current-carrying steady state, described by thermally distributed modes with temperatures {{T}L} and {{T}R} for left and right-moving modes, respectively, emerges at late times. The non-equilibrium density matrix is the exponential of a non-local conserved charge. We obtain exact results for the average energy current and the complete distribution of energy current fluctuations. The latter shows that the long-time energy transfer can be described by a continuum of independent Poisson processes, for which we provide the exact weights. We further describe the full time evolution of local observables following the quench. Averages of generic local observables, including the stress-energy tensor, approach the steady state with a power-law in time, where the exponent depends on the initial conditions at the connection hypersurface. We describe boundary conditions and special operators for which the steady state is reached instantaneously on the connection hypersurface. A semiclassical analysis of freely propagating modes yields the average energy current at large distances and late times. We conclude by comparing and contrasting our findings with results for interacting theories and provide an estimate for the timescale governing the crossover to hydrodynamics. As a modification of our Klein-Gordon analysis we also include exact results for free Dirac fermions.
Dayley, Brad
2012-01-01
The comprehensive, soup-to-nuts guide to Photoshop, fully updated Photoshop CS6, used for both print and digital media, is the industry leader in image-editing software. The newest version adds some exciting new features, and this bestselling guide has been revised to cover each of them, along with all the basic information you need to get started. Learn to use all the tools, including the histogram palette, Lens Blur, Match Color, and the color replacement tool, as well as keyboard shortcuts. Then master retouching and color correction, work with Camera Raw images, prepare photos for print
Can quantum transition state theory be defined as an exact t = 0+ limit?
Jang, Seogjoo; Voth, Gregory A
2016-02-28
The definition of the classical transition state theory (TST) as a t → 0+ limit of the flux-side time correlation function relies on the assumption that simultaneous measurement of population and flux is a well defined physical process. However, the noncommutativity of the two measurements in quantum mechanics makes the extension of such a concept to the quantum regime impossible. For this reason, quantum TST (QTST) has been generally accepted as any kind of quantum rate theory reproducing the TST in the classical limit, and there has been a broad consensus that no unique QTST retaining all the properties of TST can be defined. Contrary to this widely held view, Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)] recently suggested that a true QTST can be defined as the exact t → 0+ limit of a certain kind of quantum flux-side time correlation function and that it is equivalent to the ring polymer molecular dynamics (RPMD) TST. This work seeks to question and clarify certain assumptions underlying these suggestions and their implications. First, the time correlation function used by HA as a starting expression is not related to the kinetic rate constant by virtue of linear response theory, which is the first important step in relating a t = 0+ limit to a physically measurable rate. Second, a theoretical analysis calls into question a key step in HA's proof which appears not to rely on an exact quantum mechanical identity. The correction of this makes the true t = 0+ limit of HA's QTST different from the RPMD-TST rate expression, but rather equal to the well-known path integral quantum transition state theory rate expression for the case of centroid dividing surface. An alternative quantum rate expression is then formulated starting from the linear response theory and by applying a recently developed formalism of real time dynamics of imaginary time path integrals [S. Jang, A. V. Sinitskiy, and G. A. Voth, J. Chem. Phys. 140, 154103 (2014)]. It is shown
Sharma, Sandeep
2015-01-01
We propose a multireference linearized coupled cluster theory using matrix product states (MPS-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles (MRCISD), for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium and stretched geometries, to highly multireference systems such as the chromium dimer and lattice models such as periodic two-dimensional 1-band and 3-band Hubbard models. The MPS-LCC theory shows a speed up of several orders of magnitude over the usual DMRG algorithm while delivering energies in excellent agreement with converged DMRG calculations. Also, in all the benchmark calculations presented here MPS-LCC outperformed the commonly used multi-reference quantum chemistry methods in some cases giving energies in excess of an order of magnitude more accurate. As a size-extensive method that can treat large active spaces, MPS-LCC opens u...
Fermionic Projected Entangled Pair States and Local U(1) Gauge Theories
Zohar, Erez; Wahl, Thorsten; Cirac, J Ignacio
2015-01-01
Tensor networks, and in particular Projected Entangled Pair States (PEPS), are a powerful tool for the study of quantum many body physics, thanks to both their built-in ability of classifying and studying symmetries, and the efficient numerical calculations they allow. In this work, we introduce a way to extend the set of symmetric PEPS in order to include local gauge invariance and investigate lattice gauge theories with fermionic matter. To this purpose, we provide as a case study and first example, the construction of a fermionic PEPS, based on Gaussian schemes, invariant under both global and local U(1) gauge transformations. The obtained states correspond to a truncated U(1) lattice gauge theory in 2 + 1 dimensions, involving both the gauge field and fermionic matter. For the global symmetry (pure fermionic) case, these PEPS can be studied in terms of spinless fermions subject to a p-wave superconducting pairing. For the local symmetry (fermions and gauge fields) case, we find confined and deconfined pha...
Mrugalla, Florian; Kast, Stefan M.
2016-09-01
Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.
Mrugalla, Florian; Kast, Stefan M
2016-09-01
Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.
Mukherjee, Shantanu; Lee, Wei-Cheng
2015-12-01
The quasiparticle interferences (QPIs) of the featureless Mott insulators are investigated by a T -matrix formalism implemented with the dynamical mean field theory (T -DMFT). In the Mott insulating state, due to the singularity at zero frequency in the real part of the electron self-energy [Re Σ (ω )˜η /ω ] predicted by DMFT, where η can be considered as the "order parameter" for the Mott insulating state, QPIs are completely washed out at small bias voltages. However, a further analysis shows that Re Σ (ω ) serves as an energy-dependent chemical potential shift. As a result, the effective bias voltage seen by the system is e V'=e V -Re Σ (e V ) , which leads to a critical bias voltage e Vc˜√{η } satisfying e V'=0 if and only if η is nonzero. Consequently, the same QPI patterns produced by the noninteracting Fermi surfaces appear at this critical bias voltage e Vc in the Mott insulating state. We propose that this reentry of noninteracting QPI patterns at e Vc could serve as an experimental signature of the Mott insulating state, and the order parameter can be experimentally measured as η ˜(eVc) 2 .
First Versus Second Order Latent Growth Curve Models: Some Insights From Latent State-Trait Theory.
Geiser, Christian; Keller, Brian; Lockhart, Ginger
2013-07-01
First order latent growth curve models (FGMs) estimate change based on a single observed variable and are widely used in longitudinal research. Despite significant advantages, second order latent growth curve models (SGMs), which use multiple indicators, are rarely used in practice, and not all aspects of these models are widely understood. In this article, our goal is to contribute to a deeper understanding of theoretical and practical differences between FGMs and SGMs. We define the latent variables in FGMs and SGMs explicitly on the basis of latent state-trait (LST) theory and discuss insights that arise from this approach. We show that FGMs imply a strict trait-like conception of the construct under study, whereas SGMs allow for both trait and state components. Based on a simulation study and empirical applications to the CES-D depression scale (Radloff, 1977) we illustrate that, as an important practical consequence, FGMs yield biased reliability estimates whenever constructs contain state components, whereas reliability estimates based on SGMs were found to be accurate. Implications of the state-trait distinction for the measurement of change via latent growth curve models are discussed.
Mökkönen, Harri; Jónsson, Hannes
2016-01-01
The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates i...
Ogawa, Shun; Yamaguchi, Yoshiyuki Y.
2015-06-01
An external force dynamically drives an isolated mean-field Hamiltonian system to a long-lasting quasistationary state, whose lifetime increases with population of the system. For second order phase transitions in quasistationary states, two nonclassical critical exponents have been reported individually by using a linear and a nonlinear response theories in a toy model. We provide a simple way to compute the critical exponents all at once, which is an analog of the Landau theory. The present theory extends the universality class of the nonclassical exponents to spatially periodic one-dimensional systems and shows that the exponents satisfy a classical scaling relation inevitably by using a key scaling of momentum.
Ogawa, Shun; Yamaguchi, Yoshiyuki Y
2015-06-01
An external force dynamically drives an isolated mean-field Hamiltonian system to a long-lasting quasistationary state, whose lifetime increases with population of the system. For second order phase transitions in quasistationary states, two nonclassical critical exponents have been reported individually by using a linear and a nonlinear response theories in a toy model. We provide a simple way to compute the critical exponents all at once, which is an analog of the Landau theory. The present theory extends the universality class of the nonclassical exponents to spatially periodic one-dimensional systems and shows that the exponents satisfy a classical scaling relation inevitably by using a key scaling of momentum.
Entrapping of exohedral metallofullerenes in carbon nanotubes: (CsC60)n@SWNT nano-peapods.
Sun, Bao-Yun; Sato, Yuta; Suenaga, Kazutomo; Okazaki, Toshiya; Kishi, Naoki; Sugai, Toshiki; Bandow, Shunji; Iijima, Sumio; Shinohara, Hisanori
2005-12-28
Exohedral C60-based metallofullerenes, CsC60, have been synthesized and successfully encapsulated into single-wall carbon nanotubes (SWNTs) in high yield by reducing C60 molecules into anions. High-resolution transmission electron microscopy (HRTEM) images and in situ electron energy loss spectroscopy (EELS) indicate that Cs atoms and C60 molecules align within SWNTs as CsC60 exohedral metallofullerenes, and that the formal charge state of encaged CsC60 is expressed as Cs+1C60-1. The present peapods with the exohedral metallofullerenes provide a new insight and the possibility to fine-tune the electronic and transport properties of carbon nanotubes.
Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G
2016-11-29
Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C2F4), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice-Ramsperger-Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements.
Determination of {sup 135}Cs and {sup 137}Cs in environmental samples: A review
Energy Technology Data Exchange (ETDEWEB)
Russell, B.C., E-mail: ben.russell@npl.co.uk [GAU-Radioanalytical, Ocean and Earth Science, University of Southampton, National Oceanography Centre, Southampton, SO14 3ZH (United Kingdom); National Physical Laboratory, Hampton Road, Teddington, Middlesex, TW11 0LW (United Kingdom); Croudace, Ian W.; Warwick, Phil E. [GAU-Radioanalytical, Ocean and Earth Science, University of Southampton, National Oceanography Centre, Southampton, SO14 3ZH (United Kingdom)
2015-08-26
Radionuclides of caesium are environmentally important since they are formed as significant high yield fission products ({sup 135}Cs and {sup 137}Cs) and activation products ({sup 134}Cs and {sup 136}Cs) during nuclear fission. They originate from a range of nuclear activities such as weapons testing, nuclear reprocessing and nuclear fuel cycle discharges and nuclear accidents. Whilst {sup 137}Cs, {sup 134}Cs and {sup 136}Cs are routinely measurable at high sensitivity by gamma spectrometry, routine detection of long-lived {sup 135}Cs by radiometric methods is challenging. This measurement is, however, important given its significance in long-term nuclear waste storage and disposal. Furthermore, the {sup 135}Cs/{sup 137}Cs ratio varies with reactor, weapon and fuel type, and accurate measurement of this ratio can therefore be used as a forensic tool in identifying the source(s) of nuclear contamination. The shorter-lived activation products {sup 134}Cs and {sup 136}Cs have a limited application but provide useful early information on fuel irradiation history and have importance in health physics. Detection of {sup 135}Cs (and {sup 137}Cs) is achievable by mass spectrometric techniques; most commonly inductively coupled plasma mass spectrometry (ICP-MS), as well as thermal ionisation (TIMS), accelerator (AMS) and resonance ionisation (RIMS) techniques. The critical issues affecting the accuracy and detection limits achievable by this technique are effective removal of barium to eliminate isobaric interferences arising from {sup 135}Ba and {sup 137}Ba, and elimination of peak tailing of stable {sup 133}Cs on {sup 135}Cs. Isobaric interferences can be removed by chemical separation, most commonly ion exchange chromatography, and/or instrumental separation using an ICP-MS equipped with a reaction cell. The removal of the peak tailing interference is dependent on the instrument used for final measurement. This review summarizes and compares the analytical procedures
Experiments for improving fabrication, recovery and surface-protection of Cs3Sb photocathode
Kimoto, Takayoshi; Arai, Yoshihiro; Nagayama, Kuniak
2017-01-01
We examined 1) the photocurrent from Cs3Sb photocathode as a function of anode voltage below 200 V, 2) the relationship between the quantum efficiency of photoemission and the conditions for fabrication by the sandwich method, 3) recovery of the photoemission by additional Cs deposition, and 4) the effects of surface protection of Cs3Sb photocathodes by WO3 and Cr2O3 films in the passive state. The photocurrent had a maximum at approximately 68 V except when we increased the anode voltage extraordinarily slowly. Cs3Sb photocathodes were fabricated by increasing the temperature of sandwiched layers of Sb, Cs and Sb deposited on the fine tips of eight cathodes at less than -12 °C. Cs3Sb photocathodes having higher quantum efficiency were fabricated by smoothly increasing the temperature of the layers quickly after we deposited the second Sb layer. The photocurrent from the Cs3Sb photocathodes was significantly higher when Cs was deposited at temperatures of 50-70 °C. Deposition of a one- to three- atomic-layer W or Cr film extended the photoemission lifetime after the layers were oxidized to WO3 or Cr2O3 in the passive state due to oxidation. The WO3 or Cr2O3 in the passive state provided more surface protection as their thickness increased.
Directory of Open Access Journals (Sweden)
Debashis Mukherjee
2002-06-01
Full Text Available Abstract: We present in this paper two new versions of Rayleigh-SchrÃ‚Â¨odinger (RS and the Brillouin-Wigner (BW state-specific multi-reference perturbative theories (SSMRPT which stem from our state-specific multi-reference coupled-cluster formalism (SS-MRCC, developed with a complete active space (CAS. They are manifestly sizeextensive and are designed to avoid intruders. The combining coefficients cÃŽÂ¼ for the model functions ÃÂ†ÃŽÂ¼ are completely relaxed and are obtained by diagonalizing an effective operator in the model space, one root of which is the target eigenvalue of interest. By invoking suitable partitioning of the hamiltonian, very convenient perturbative versions of the formalism in both the RS and the BW forms are developed for the second order energy. The unperturbed hamiltonians for these theories can be chosen to be of both MÃÂ†ller-Plesset (MP and Epstein-Nesbet (EN type. However, we choose the corresponding Fock operator fÃŽÂ¼ for each model function ÃÂ†ÃŽÂ¼, whose diagonal elements are used to define the unperturbed hamiltonian in the MP partition. In the EN partition, we additionally include all the diagonal direct and exchange ladders. Our SS-MRPT thus utilizes a multi-partitioning strategy. Illustrative numerical applications are presented for potential energy surfaces (PES of the ground (1ÃŽÂ£+ and the first delta (1ÃŽÂ” states of CH+ which possess pronounced multi-reference character. Comparison of the results with the corresponding full CI values indicates the efficacy of our formalisms.
State-of-the-art of beyond mean field theories with nuclear density functionals
Egido, J. Luis
2016-07-01
We present an overview of different beyond mean field theories (BMFTs) based on the generator coordinate method (GCM) and the recovery of symmetries used in many body nuclear physics with effective forces. In a first step a short reminder of the Hartree-Fock-Bogoliubov (HFB) theory is given. A general discussion of the shortcomings of any mean field approximation (MFA), stemming either from the lack of the elementary symmetries (like particle number and angular momentum) or the absence of fluctuations around the mean values, is presented. The recovery of the symmetries spontaneously broken in the HFB approach, in particular the angular momentum, is necessary, among others, to describe excited states and transitions. Particle number projection is also needed to guarantee the right number of protons and neutrons. Furthermore a projection before the variation prevents the pairing collapse in the weak pairing regime. A whole chapter is devoted to illustrate with examples the convenience of recovering symmetries and the differences between the projection before and after the variation. The lack of fluctuations around the average values of the MFA is a big shortcoming inherent to this approach. To build in correlations in BMFT one selects the relevant degrees of freedom of the atomic nucleus. In the low energy part of the spectrum these are the quadrupole, octupole and the pairing vibrations as well as the single particle degrees of freedom. In the GCM the operators representing these degrees of freedom are used as coordinates to generate, by the constrained (projected) HFB theory, a collective subspace. The highly correlated GCM wave function is finally written as a linear combination of a projected basis of this space. The variation of the coefficients of the linear combination leads to the Hill-Wheeler equation. The flexibility of the GCM Ansatz allows to describe a whole palette of physical situations by conveniently choosing the generator coordinates. We discuss the
Schermelleh-Engel, Karin; Keith, Nina; Moosbrugger, Helfried; Hodapp, Volker
2004-01-01
An extension of latent state-trait (LST) theory to hierarchical LST models is presented. In hierarchical LST models, the covariances between 2 or more latent traits are explained by a general 3rd-order factor, and the covariances between latent state residuals pertaining to different traits measured on the same measurement occasion are explained…
Statistical-mechanical theory of a new analytical equation of state
Song, Yuhua; Mason, E. A.
1989-12-01
We present an analytical equation of state based on statistical-mechanical perturbation theory for hard spheres, using the Weeks-Chandler-Andersen decomposition of the potential and the Carnahan-Starling formula for the pair distribution function at contact, g(d+), but with a different algorithm for calculating the effective hard-sphere diameter. The second virial coefficient is calculated exactly. Two temperature-dependent quantities in addition to the second virial coefficient arise, an effective hard-sphere diameter or van der Waals covolume, and a scaling factor for g(d+). Both can be calculated by simple quadrature from the intermolecular potential. If the potential is not known, they can be determined from the experimental second virial coefficient because they are insensitive to the shape of the potential. Two scaling constants suffice for this purpose, the Boyle temperature and the Boyle volume. These could also be determined from analysis of a number of properties other than the second virial coefficient. Thus the second virial coefficient serves to predict the entire equation of state in terms of two scaling parameters, and hence a number of other thermodynamic properties including the Helmholtz free energy, the internal energy, the vapor pressure curve and the orthobaric liquid and vapor densities, and the Joule-Thomson inversion curve, among others. Since it is effectively a two-parameter equation, the equation of state implies a principle of corresponding states. Agreement with computer-simulated results for a Lennard-Jones (12,6) fluid, and with experimental p-v-T data on the noble gases (except He) is quite good, extending up to the limit of available data, which is ten times the critical density for the (12,6) fluid and about three times the critical density for the noble gases. As expected for a mean-field theory, the prediction of the critical constants is only fair, and of the critical exponents is incorrect. Limited testing on the polyatomic
Emergence of equilibrium thermodynamic properties in quantum pure states. I. Theory.
Fresch, Barbara; Moro, Giorgio J
2010-07-21
Investigation on foundational aspects of quantum statistical mechanics recently entered a renaissance period due to novel intuitions from quantum information theory and to increasing attention on the dynamical aspects of single quantum systems. In the present contribution a simple but effective theoretical framework is introduced to clarify the connections between a purely mechanical description and the thermodynamic characterization of the equilibrium state of an isolated quantum system. A salient feature of our approach is the very transparent distinction between the statistical aspects and the dynamical aspects in the description of isolated quantum systems. Like in the classical statistical mechanics, the equilibrium distribution of any property is identified on the basis of the time evolution of the considered system. As a consequence equilibrium properties of quantum system appear to depend on the details of the initial state due to the abundance of constants of the motion in the Schrodinger dynamics. On the other hand the study of the probability distributions of some functions, such as the entropy or the equilibrium state of a subsystem, in statistical ensembles of pure states reveals the crucial role of typicality as the bridge between macroscopic thermodynamics and microscopic quantum dynamics. We shall consider two particular ensembles: the random pure state ensemble and the fixed expectation energy ensemble. The relation between the introduced ensembles, the properties of a given isolated system, and the standard quantum statistical description are discussed throughout the presentation. Finally we point out the conditions which should be satisfied by an ensemble in order to get meaningful thermodynamical characterization of an isolated quantum system.
Nonequilibrium Lifshitz theory as a steady state of a full dynamical quantum system
Lombardo, Fernando C.; Mazzitelli, Francisco D.; López, Adrián E. Rubio; Turiaci, Gustavo J.
2016-07-01
In this work we analyze the validity of Lifshitz's theory for the case of nonequilibrium scenarios from a full quantum dynamical approach. We show that Lifshitz's framework for the study of the Casimir pressure is the result of considering the long-time regime (or steady state) of a well-defined fully quantized problem, subjected to initial conditions for the electromagnetic field interacting with real materials. For this, we implement the closed time path formalism developed in previous works to study the case of two half spaces (modeled as composite environments, consisting in quantum degrees of freedom plus thermal baths) interacting with the electromagnetic field. Starting from initial uncorrelated free subsystems, we solve the full time evolution, obtaining general expressions for the different contributions to the pressure that take part on the transient stage. Using the analytic properties of the retarded Green functions, we obtain the long-time limit of these contributions to the total Casimir pressure. We show that, in the steady state, only the baths' contribute, in agreement with the results of previous works, where this was assumed without justification. We also study in detail the physics of the initial conditions' contribution and the concept of modified vacuum modes, giving insights about in which situations one would expect a nonvanishing contribution at the steady state of a nonequilibrium scenario. This would be the case when considering finite width slabs instead of half-spaces.
Nakatani, Naoki; Wouters, Sebastian; Van Neck, Dimitri; Chan, Garnet Kin-Lic
2014-01-14
Linear response theory for the density matrix renormalization group (DMRG-LRT) was first presented in terms of the DMRG renormalization projectors [J. J. Dorando, J. Hachmann, and G. K.-L. Chan, J. Chem. Phys. 130, 184111 (2009)]. Later, with an understanding of the manifold structure of the matrix product state (MPS) ansatz, which lies at the basis of the DMRG algorithm, a way was found to construct the linear response space for general choices of the MPS gauge in terms of the tangent space vectors [J. Haegeman, J. I. Cirac, T. J. Osborne, I. Pižorn, H. Verschelde, and F. Verstraete, Phys. Rev. Lett. 107, 070601 (2011)]. These two developments led to the formulation of the Tamm-Dancoff and random phase approximations (TDA and RPA) for MPS. This work describes how these LRTs may be efficiently implemented through minor modifications of the DMRG sweep algorithm, at a computational cost which scales the same as the ground-state DMRG algorithm. In fact, the mixed canonical MPS form implicit to the DMRG sweep is essential for efficient implementation of the RPA, due to the structure of the second-order tangent space. We present ab initio DMRG-TDA results for excited states of polyenes, the water molecule, and a [2Fe-2S] iron-sulfur cluster.
Timonen, Virpi; Conlon, Catherine; Scharf, Thomas; Carney, Gemma
2013-09-01
The relationship between class and intergenerational solidarities in the public and private spheres calls for further conceptual and theoretical development. This article discusses the findings from the first wave of a qualitative longitudinal study entitled Changing Generations, conducted in Ireland in 2011-2012, comprising 100 in-depth interviews with men and women across the age and socioeconomic spectrums. Constructivist grounded theory analysis of the data gives rise to the following postulates: (1) intergenerational solidarity at the family level is strongly contoured by socioeconomic status (SES); (2) intergenerational solidarity evolves as family generations observe each others' practices and adjust their expectations accordingly; (3) intergenerational solidarity within families is also shaped by the public sphere (the welfare state) that generates varying expectations and levels of solidarity regarding State supports for different age groups, again largely dependent on SES; (4) the liberal welfare state context, especially at a time of economic crisis, enhances the significance of intergenerational solidarity within families. We conclude by calling for research that is attuned to age/generation, gender and class, and how these operate across the family and societal levels.
Nakatani, Naoki; Wouters, Sebastian; Van Neck, Dimitri; Chan, Garnet Kin-Lic
2014-01-01
Linear response theory for the density matrix renormalization group (DMRG-LRT) was first presented in terms of the DMRG renormalization projectors [J. J. Dorando, J. Hachmann, and G. K.-L. Chan, J. Chem. Phys. 130, 184111 (2009)]. Later, with an understanding of the manifold structure of the matrix product state (MPS) ansatz, which lies at the basis of the DMRG algorithm, a way was found to construct the linear response space for general choices of the MPS gauge in terms of the tangent space vectors [J. Haegeman, J. I. Cirac, T. J. Osborne, I. Pižorn, H. Verschelde, and F. Verstraete, Phys. Rev. Lett. 107, 070601 (2011)]. These two developments led to the formulation of the Tamm-Dancoff and random phase approximations (TDA and RPA) for MPS. This work describes how these LRTs may be efficiently implemented through minor modifications of the DMRG sweep algorithm, at a computational cost which scales the same as the ground-state DMRG algorithm. In fact, the mixed canonical MPS form implicit to the DMRG sweep is essential for efficient implementation of the RPA, due to the structure of the second-order tangent space. We present ab initio DMRG-TDA results for excited states of polyenes, the water molecule, and a [2Fe-2S] iron-sulfur cluster.
Entanglement entropy of excited states in conformal perturbation theory and the Einstein equation
Speranza, Antony J
2016-01-01
For a conformal field theory (CFT) deformed by a relevant operator, the entanglement entropy of a ball-shaped region may be computed as a perturbative expansion in the coupling. A similar perturbative expansion exists for excited states near the vacuum. Using these expansions, this work investigates the behavior of excited state entanglement entropies of small, ball-shaped regions. The motivation for these calculations is Jacobson's recent work on the equivalence of the Einstein equation and the hypothesis of maximal vacuum entropy [arXiv:1505.04753], which relies on a conjecture stating that the behavior of these entropies is sufficiently similar to a CFT. In addition to the expected type of terms which scale with the ball radius as $R^d$, the entanglement entropy calculation gives rise to terms scaling as $R^{2\\Delta}$, where $\\Delta$ is the dimension of the deforming operator. When $\\Delta\\leq\\frac{d}{2}$, the latter terms dominate the former, and suggest that a modification to the conjecture is needed.
Equation of state of imbalanced cold matter from chiral perturbation theory
Carignano, Stefano; Mannarelli, Massimo
2016-01-01
We study the thermodynamic properties of matter at vanishing temperature for non-extreme values of the isospin chemical potential and of the strange quark chemical potential. From the leading order pressure obtained by maximizing the static chiral Lagrangian density we derive a simple expression for the equation of state in the pion condensed phase and in the kaon condensed phase. We find an analytical expression for the maximum of the ratio between the chiral perturbation energy density and the Stefan-Boltzmann energy density as well as for the isospin chemical potential at the peak in good agreement with lattice simulations of quantum chromodynamics. We speculate on the location of the crossover from the Bose-Einstein condensate state to the Bardeen-Cooper-Schrieffer state by a simple analysis of the thermodynamic properties of the system. For $\\mu_I \\gtrsim 2 m_\\pi$ the leading order chiral perturbation theory breaks down; as an example it underestimates the energy density of the system and leads to a wron...
Equation of state of imbalanced cold matter from chiral perturbation theory
Carignano, Stefano; Mammarella, Andrea; Mannarelli, Massimo
2016-03-01
We study the thermodynamic properties of matter at vanishing temperature for nonextreme values of the isospin chemical potential and of the strange quark chemical potential. From the leading-order pressure obtained by maximizing the static chiral Lagrangian density, we derive a simple expression for the equation of state in the pion condensed phase and in the kaon condensed phase. We find an analytical expression for the maximum of the ratio between the energy density and the Stefan-Boltzmann energy density and for the isospin chemical potential at the peak, both in good agreement with lattice simulations of quantum chromodynamics. We speculate on the location of the crossover from the Bose-Einstein condensate state to the Bardeen-Cooper-Schrieffer state by a simple analysis of the thermodynamic properties of the system. For μI≳2 mπ, the leading-order chiral perturbation theory breaks down; for example, it underestimates the energy density of the system and leads to a wrong asymptotic behavior.
A New Perturbed Hard-Sphere Equation of State
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
A new equation of state based on hard-sphere perturbed theory was developed. This equation combined the CS repulsive term and Guo-Du attractive term. Parameters of 38 substances were estimated, the pressure-volume-temperature properties were calculated and compared with two other equations. The results show that this equation is more accurate.
Encapsulation of Cs/Sr contaminated clinoptilolite in geopolymers produced from metakaolin
Kuenzel, C.; Cisneros, J. F.; Neville, T. P.; Vandeperre, L. J.; Simons, S. J. R.; Bensted, J.; Cheeseman, C. R.
2015-11-01
The encapsulation of caesium (Cs) and strontium (Sr) contaminated clinoptilolite in Na and K based metakaolin geopolymers is reported. When Cs or Sr loaded clinoptilolite is mixed with a metakaolin geopolymer paste, the high pH of the activating solution and the high concentration of ions in solution cause ion exchange reactions and dissolution of clinoptilolite with release of Cs and Sr into the geopolymer matrix. The leaching of Cs and Sr from metakaolin-based geopolymer has therefore been investigated. It was found that Na-based geopolymers reduce leaching of Cs compared to K-based geopolymers and the results are in agreement with the hard and soft acids and bases (HSAB) theory. Cs ions are weak Lewis acids and aluminates are a weak Lewis base. During the formation of the geopolymer matrix Cs ions are preferentially bound to aluminate phases and replace Na in the geopolymer structure. Sr uptake by Na-geopolymers is limited to 0.4 mol Sr per mole of Al and any additional Sr is immobilised by the high pH which causes precipitation of Sr as low solubility hydroxide and carbonate phases. There was no evidence of any other phases being formed when Sr or Cs are added to metakaolin geopolymers.
Institute of Scientific and Technical Information of China (English)
毛继光
2000-01-01
英语学习进入中高级阶段时,时常觉得英语的单词、词组或习惯用法越来越难掌握。本文想从另一角度为学习者提供一些词汇学习策略,引导学习者留心注意4Cs(collocative meaning,connotativemeaning,contextual meaning 和 cultural meaning)。本文虽是蜻蜓点水,但也许能为学习者提高语言意识开启一痢窗户。一、搭配意义(collocative meaning)
Equation of state of a relativistic theory from a moving frame
Giusti, Leonardo
2014-01-01
We propose a new strategy for determining the equation of state of a relativistic thermal quantum field theory by considering it in a moving reference system. In this frame an observer can measure the entropy density of the system directly from its average total momentum. In the Euclidean path integral formalism, this amounts to compute the expectation value of the off-diagonal components T_{0k} of the energy-momentum tensor in presence of shifted boundary conditions. The entropy is thus easily measured from the expectation value of a local observable computed at the target temperature T only. At large T, the temperature itself is the only scale which drives the systematic errors, and the lattice spacing can be tuned to perform a reliable continuum limit extrapolation while keeping finite-size effects under control. We test this strategy for the four-dimensional SU(3) Yang-Mills theory. We present precise results for the entropy density and its step-scaling function in the temperature range 0.9 T_c - 20 T_c. ...
A cold energy mixture theory for the equation of state in solid and porous metal mixtures
Zhang, X. F.; Qiao, L.; Shi, A. S.; Zhang, J.; Guan, Z. W.
2011-07-01
Porous or solid multi-component mixtures are ubiquitous in nature and extensively used as industrial materials such as multifunctional energetic structural materials (MESMs), metallic and ceramic powder for shock consolidation, and porous armor materials. In order to analyze the dynamic behavior of a particular solid or porous metal mixture in any given situation, a model is developed to calculate the Hugoniot data for solid or porous mixtures using only static thermodynamic properties of the components. The model applies the cold energy mixture theory to calculate the isotherm of the components to avoid temperature effects on the mixtures. The isobaric contribution from the thermodynamic equation of state is used to describe the porous material Hugoniot. Dynamic shock responses of solid or porous powder mixtures compacted by shock waves have been analyzed based on the mixture theory and Hugoniot for porous materials. The model is tested on both single-component porous materials such as aluminum 2024, copper, and iron; and on multi-component mixtures such as W/Cu, Fe/Ni, and Al/Ni. The theoretical calculations agree well with the corresponding experimental and simulation results. The present model produces satisfactory correlation with the experimentally obtained Hugoniot data for solid porous materials over a wide pressure range.
Dynamic state estimation based on Poisson spike trains—towards a theory of optimal encoding
Susemihl, Alex; Meir, Ron; Opper, Manfred
2013-03-01
Neurons in the nervous system convey information to higher brain regions by the generation of spike trains. An important question in the field of computational neuroscience is how these sensory neurons encode environmental information in a way which may be simply analyzed by subsequent systems. Many aspects of the form and function of the nervous system have been understood using the concepts of optimal population coding. Most studies, however, have neglected the aspect of temporal coding. Here we address this shortcoming through a filtering theory of inhomogeneous Poisson processes. We derive exact relations for the minimal mean squared error of the optimal Bayesian filter and, by optimizing the encoder, obtain optimal codes for populations of neurons. We also show that a class of non-Markovian, smooth stimuli are amenable to the same treatment, and provide results for the filtering and prediction error which hold for a general class of stochastic processes. This sets a sound mathematical framework for a population coding theory that takes temporal aspects into account. It also formalizes a number of studies which discussed temporal aspects of coding using time-window paradigms, by stating them in terms of correlation times and firing rates. We propose that this kind of analysis allows for a systematic study of temporal coding and will bring further insights into the nature of the neural code.
Greene, Samuel M; Shan, Xiao; Clary, David C
2016-06-28
Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives are obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.
Ground-state properties of rare-earth metals: an evaluation of density-functional theory.
Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V
2014-10-15
The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called 'standard model' of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin-orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra.
Non-equilibrium Lifshitz theory as a steady state of a full dynamical quantum system
Lombardo, Fernando C; Lopez, Adrian E Rubio; Turiaci, Gustavo J
2015-01-01
In this work we analyze the validity of Lifshitz's theory for the case of non-equilibrium scenarios from a full quantum dynamical approach. We show that Lifshitz's framework for the study of the Casimir pressure is the result of considering the long-time regime (or steady state) of a well-defined fully quantized problem, subjected to initial conditions for the electromagnetic field interacting with real materials. For this, we implement the closed time path formalism developed in previous works to study the case of two half spaces (modeled as composite environments, consisting in quantum degrees of freedom plus thermal baths) interacting with the electromagnetic field. Starting from initial uncorrelated free subsystems, we solve the full time evolution, obtaining general expressions for the different contributions to the pressure that take part on the transient stage. Using the analytic properties of the retarded Green functions, we obtain the long-time limit of these contributions to the total Casimir pressu...
Ground State Properties of Ds Isotopes Within the Relativistic Mean Field Theory
Institute of Scientific and Technical Information of China (English)
张海飞; 张鸿飞; 李君清
2012-01-01
The ground state properties of Ds (Z=110) isotopes (N=151-195) are studied in the framework of the relativistic mean field (RMF) theory with the effective interaction NL-Z2.The pairing correlation is treated within the conventional BCS approximation.The calculated binding energies are consistent with the results from finite-range droplet model (FRDM) and Macroscopic-microscopic method (MMM).The quadrupole deformation,α-decay energy,α-decay half-live,charge radius,two-neutron separation energy and single-particle spectra are analyzed for Ds isotopes to find new characteristics of superheavy nuclei (SHN).Among the calculated results it is rather distinct that the isotopic shift appears evidently at neutron number N=184.
On the uniqueness of t->0+ quantum transition-state theory
Hele, Timothy J H
2013-01-01
It was shown recently that there exists a true quantum transition-state theory (QTST) corresponding to the t->0+ limit of a (new form of) quantum flux-side time-correlation function. Remarkably, this QTST is identical to ring-polymer molecular dynamics (RPMD) TST. Here we provide evidence which suggests very strongly that this QTST (= RPMD-TST) is unique, in the sense that the t->0+ limit of any other flux-side time-correlation function gives either non-positive-definite quantum statistics or zero. We introduce a generalized flux-side time-correlation function which includes all other (known) flux-side time-correlation functions as special limiting cases. We find that the only non-zero t->0+ limit of this function that contains positive-definite quantum statistics is RPMD-TST.
Diagrammatic perturbation theory - The ground state of the carbon monosulfide molecule
Wilson, S.
1977-01-01
Diagrammatic many-body perturbation theory is employed in a study of the ground state of the carbon monosulfide molecule for bond lengths close to the equilibrium value. The calculations are complete through third order in the energy within the algebraic approximation. Two different zero-order Hamiltonians are considered, and all two-, three-, and four-body terms are determined for the corresponding perturbation expansions. Many-body effects are found to be very important. Pade approximants to the energy expansion are constructed, and upper bounds evaluated. Almost 53 percent of the estimated correlation energy is recovered. The variation of components of the correlation energy with nuclear separation is investigated. Spectroscopic constants are also calculated.
Ground and low-lying excited electronic states of graphene flakes: a density functional theory study
Energy Technology Data Exchange (ETDEWEB)
Tachikawa, Hiroto; Kawabata, Hiroshi, E-mail: hiroto@eng.hokudai.ac.jp [Division of Materials Chemistry, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628 (Japan)
2011-10-28
Structures and electronic states of graphene flakes (finite and small sized graphenes) have been investigated by means of the density functional theory method. Sizes of graphene flakes examined in this study were n = 7, 10, 14, 19, 29 and 44, where n is the number of benzene rings in the graphene flake. The excitation energies of graphene flakes decreased gradually as a function of the number of the ring (n). The orbitals of the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) are localized in the edge region of the graphene flake. It was found that the edge region can react with a water molecule and H{sub 2}O is dissociated into OH radical and hydrogen atom (H) without an activation barrier. A lithium ion can bind strongly to the edge region. The ability of the edge region in the graphene flakes was discussed on the basis of theoretical results.
Conditions for describing triplet states in reduced density matrix functional theory
Theophilou, Iris; Helbig, Nicole
2016-01-01
We consider necessary conditions for the one body-reduced density matrix (1RDM) to correspond to a triplet wave-function of a two electron system. The conditions concern the occupation numbers and are different for the high spin projections, $S_z=\\pm 1$, and the $S_z=0$ projection. We employ these conditions in reduced density matrix functional theory calculations for the triplet excitations of two electron systems. In addition, we propose that these conditions can be used in the calculation of triplet states of systems with more than two electrons by restricting the active space and assess this procedure in calculations for a few atomic and molecular systems. We show that the quality of the optimal 1RDMs improves by applying the conditions in all the cases we studied.
Microscopic driving theory with oscillatory congested states: model and empirical verification
Tian, Junfang; Ma, Shoufeng; Jia, Bin; Zhang, Wenyi
2014-01-01
The essential distinction between the Fundamental Diagram Approach (FDA) and Kerner's Three- Phase Theory (KTPT) is the existence of a unique gap-speed (or flow-density) relationship in the former class. In order to verify this relationship, empirical data are analyzed with the following findings: (1) linear relationship between the actual space gap and speed can be identified when the speed difference between vehicles approximates zero; (2) vehicles accelerate or decelerate around the desired space gap most of the time. To explain these phenomena, we propose that, in congested traffic flow, the space gap between two vehicles will oscillate around the desired space gap in the deterministic limit. This assumption is formulated in terms of a cellular automaton. In contrast to FDA and KTPT, the new model does not have any congested steady-state solution. Simulations under periodic and open boundary conditions reproduce the empirical findings of KTPT. Calibrating and validating the model to detector data produces...
Generalized Two-State Theory for an Atom Laser with Nonlinear Couplings
Institute of Scientific and Technical Information of China (English)
JING Hui; TIAN Li-Jun
2002-01-01
We present a generalized two-state theory to investigate the quantum dynamics and statistics of an atom laser with nonlinear couplings. The rotating wave approximate Hamiltonian of the system is proved to be analytically solvable. The fraction of output atoms is then showed to exhibit an interesting collapse and revival phenomenon with respect to the evolution time, a sign of nonlinear couplings. Several nonclassical effects, such as sub-Poissonian distribution, quadrature squeezing effects, second-order cross-correlation and accompanied violation of Cauchy-Schwartz inequality are also revealed for the output matter wave. The initial global phase of the trapped condensate, in weak nonlinear coupling limits, is found to exert an interesting impact on the quantum statistical properties of the propagating atom laser beam.
Institute of Scientific and Technical Information of China (English)
王艳; 钱英; 冯文林; 刘若庄
2003-01-01
An implementation of the variational quantum RRKM program is presented to utilize the direct ab initio dynamics approach for calculating k(E, J), k(E) and k(T) within the framework of the microcanonical transition state (μTST) and microcanonical variational TST (μVT) theories. An algorithm including tunneling contributions in Beyer-Swinehart method for calculating microcanonical rate constants is also proposed. An efficient piece-wise interpolation method is developed to evaluate the Boltzmann integral in calculation of thermal rate constants. Calculations on several test reactions, namely the H(D)2CO→H(D)2 + CO, CH2CO→CH2 + CO and CH4 + H→CH3 + H2 reactions, show that the results are in good agreement with the previous rate constants calculations. This approach would require much less computational resource.
Rollo, D.; Buttiglieri, F.
In recent years, a number of studies that have examined how social experiences are related to children's theory of mind development, have found that: (1) the frequency of mothers' mental state utterances used in mother-child picture-book reading, is correlated with children's theory of mind abilities; (2) mothers' use of cognitive terms is related more strongly to children's theory of mind performances than the mothers' references to other mental states, such as desires or emotions (Adrian, Clemente, Villanueva, Rieffe, 2005; Ruffman, Slade, Crowe, 2002; Taumoepeau, Ruffman, 2006; Dunn, 2002). Despite the evidence for the role of mothers' language, there is disagreement over how exactly it improves children's theory of mind development. In short, mentalistic comments contain distinctive words, grammatical constructions and pragmatic features. The question is, however, which factor is critical (de Rosnay, Pons, Harris, Morrell, 2004). The present study addresses this issue and focuses on relationship between mothers' mental state terms and children's performances in theory of mind tasks (emotion understanding and false belief tasks). Mothers were asked to read some pictures to 10 children between 3;0 and 5;0. Among the different mental state references (perceptual, emotional, volitional, cognitive, moral and communicative), it was found that the frequency and variety of mothers' mental state words were significantly associated with children's mental lexicon. In addition, emotional terms correlated positively with children's false belief performance. Kind of emotional words that are used by the mothers with reference to the Italian language will be discussed.
Advances in numerical solutions to integral equations in liquid state theory
Howard, Jesse J.
Solvent effects play a vital role in the accurate description of the free energy profile for solution phase chemical and structural processes. The inclusion of solvent effects in any meaningful theoretical model however, has proven to be a formidable task. Generally, methods involving Poisson-Boltzmann (PB) theory and molecular dynamic (MD) simulations are used, but they either fail to accurately describe the solvent effects or require an exhaustive computation effort to overcome sampling problems. An alternative to these methods are the integral equations (IEs) of liquid state theory which have become more widely applicable due to recent advancements in the theory of interaction site fluids and the numerical methods to solve the equations. In this work a new numerical method is developed based on a Newton-type scheme coupled with Picard/MDIIS routines. To extend the range of these numerical methods to large-scale data systems, the size of the Jacobian is reduced using basis functions, and the Newton steps are calculated using a GMRes solver. The method is then applied to calculate solutions to the 3D reference interaction site model (RISM) IEs of statistical mechanics, which are derived from first principles, for a solute model of a pair of parallel graphene plates at various separations in pure water. The 3D IEs are then extended to electrostatic models using an exact treatment of the long-range Coulomb interactions for negatively charged walls and DNA duplexes in aqueous electrolyte solutions to calculate the density profiles and solution thermodynamics. It is found that the 3D-IEs provide a qualitative description of the density distributions of the solvent species when compared to MD results, but at a much reduced computational effort in comparison to MD simulations. The thermodynamics of the solvated systems are also qualitatively reproduced by the IE results. The findings of this work show the IEs to be a valuable tool for the study and prediction of
Stanners, D. A.; Aston, S. R.
1981-10-01
The distributions of 134Cs, 137Cs and 106Ru in intertidal surface sediments from the coasts of Cumbria and Lancashire, north-west England, are reported. The ratios of 134Cs: 137Cs and 106Ru: 137Cs activities have been used together with the isotopic composition of the Windscale radioactive effluents to examine the contamination history of sediments. Distinct differences between the activities and time of contamination of muds, silts and sands are found, and the apparent lag times of transport of radioactive wastes to different sediment localities are estimated. The relatively high activities in fine sediments reflect recent discharges indicating a rapid response to discharge, while the sands contain low levels of older contamination. Apparent lag times of up to 6 years are estimated for the study area; the transport to the south is generally more rapid than to the north. These results have consequences for the operation and interpretation of radiological monitoring in coastal areas.
Energy Technology Data Exchange (ETDEWEB)
Park, Yeonok; Cho, Heemoon; Je, Uikyu; Cho, Hyosung, E-mail: hscho1@yonsei.ac.kr; Park, Chulkyu; Lim, Hyunwoo; Kim, Kyuseok; Kim, Guna; Park, Soyoung; Woo, Taeho; Choi, Sungil
2015-12-21
In this work, we have developed a prototype digital breast tomosynthesis (DBT) system which mainly consists of an x-ray generator (28 kV{sub p}, 7 mA s), a CMOS-type flat-panel detector (70-μm pixel size, 230.5×339 mm{sup 2} active area), and a rotational arm to move the x-ray generator in an arc. We employed a compressed-sensing (CS)-based reconstruction algorithm, rather than a common filtered-backprojection (FBP) one, for more accurate DBT reconstruction. Here the CS is a state-of-the-art mathematical theory for solving the inverse problems, which exploits the sparsity of the image with substantially high accuracy. We evaluated the reconstruction quality in terms of the detectability, the contrast-to-noise ratio (CNR), and the slice-sensitive profile (SSP) by using the mammographic accreditation phantom (Model 015, CIRS Inc.) and compared it to the FBP-based quality. The CS-based algorithm yielded much better image quality, preserving superior image homogeneity, edge sharpening, and cross-plane resolution, compared to the FBP-based one. - Highlights: • A prototype digital breast tomosynthesis (DBT) system is developed. • Compressed-sensing (CS) based reconstruction framework is employed. • We reconstructed high-quality DBT images by using the proposed reconstruction framework.
Trumbeckaite, Sonata; Gizatullina, Zemfira; Arandarcikaite, Odeta; Röhnert, Peter; Vielhaber, Stefan; Malesevic, Miroslav; Fischer, Gunter; Seppet, Enn; Striggow, Frank; Gellerich, Frank Norbert
2013-09-01
We have introduced a sensitive method for studying oxygen/glucose deprivation (OGD)-induced mitochondrial alterations in homogenates of organotypic hippocampal slice cultures (slices) by high-resolution respirometry. Using this approach, we tested the neuroprotective potential of the novel non-immunosuppressive cyclosporin (CsA) derivative Cs9 in comparison with CsA, the immunosuppressive CsA analog [D-Ser](8)CsA, and MK 801, a N-methyl-d-aspartate (NMDA) receptor antagonist. OGD/reperfusion reduced the glutamate/malate dependent (and protein-related) state 3 respiration to 30% of its value under control conditions. All of the above drugs reversed this effect, with an increase to >88% of the value for control slices not exposed to OGD. We conclude that Cs9, [D-Ser](8)CsA, and MK 801, despite their different modes of action, protect mitochondria from OGD-induced damage.
CS-based fast ultrasound imaging with improved FISTA algorithm
Lin, Jie; He, Yugao; Shi, Guangming; Han, Tingyu
2015-08-01
In ultrasound imaging system, the wave emission and data acquisition is time consuming, which can be solved by adopting the plane wave as the transmitted signal, and the compressed sensing (CS) theory for data acquisition and image reconstruction. To overcome the very high computation complexity caused by introducing CS into ultrasound imaging, in this paper, we propose an improvement of the fast iterative shrinkage-thresholding algorithm (FISTA) to achieve the fast reconstruction of the ultrasound imaging, in which a modified setting is done with the parameter of step size for each iteration. Further, the GPU strategy is designed for the proposed algorithm, to guarantee the real time implementation of imaging. The simulation results show that the GPU-based image reconstruction algorithm can achieve the fast ultrasound imaging without damaging the quality of image.
Cordano, Mark; Welcomer, Stephanie; Scherer, Robert F.; Pradenas, Lorena; Parada, Victor
2011-01-01
We surveyed business students in the United States (n = 256) and Chile (n = 310) to compare three theories of pro-environmental behavior.We examined Ajzen and Fishbein's theory of reasoned action, Schawartz's norm activation theory, and the values-beliefs-norms theory created by Stern, Dietz, Abel, Guagnano, and Kalof. We produced reliable…
Greene, Samuel M.; Shan, Xiao; Clary, David C.
2016-02-01
We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.
Variational Mass Perturbation Theory for Light-Front Bound-State Equations
Harada, K; Stern, C; Harada, Koji; Heinzl, Thomas; Stern, Christian
1998-01-01
We investigate the mesonic light-front bound-state equations of the 't Hooft and Schwinger model in the two-particle, i.e. valence sector, for small fermion mass. We perform a high precision determination of the mass and light-cone wave function of the lowest lying meson by combining fermion mass perturbation theory with a variational approach. All calculations are done entirely in the fermionic representation without using any bosonization scheme. In a step-by-step procedure we enlarge the space of variational parameters. For the first two steps, the results are obtained analytically. Beyond that we use computer algebraic and numerical methods. We achieve good convergence so that the calculation of the meson mass squared can be extended to third order in the fermion mass. Within the numerical treatment we include higher Fock states up to six particles. Our results are consistent with all previous numerical investigations, in particular lattice calculations. For the massive Schwinger model, we find a small di...
Modeling quasi-dark states with Temporal Coupled-Mode Theory
Souza, Mario C M M; Barea, Luis A M; Wiederhecker, Gustavo S; Frateschi, Newton C
2016-01-01
Coupled resonators are commonly used to achieve tailored spectral responses and allow novel functionalities in a broad range of applications, from optical modulation and filtering in integrated photonic circuits to the study of nonlinear dynamics in arrays of resonators. The Temporal Coupled-Mode Theory (TCMT) provides a simple and general tool that is widely used to model these devices and has proved to yield very good results in many different systems of low-loss, weakly coupled resonators. Relying on TCMT to model coupled resonators might however be misleading in some circumstances due to the lumped-element nature of the model. In this article, we report an important limitation of TCMT related to the prediction of dark states. Studying a coupled system composed of three microring resonators, we demonstrate that TCMT predicts the existence of a dark state that is in disagreement with experimental observations and with the more general results obtained with the Transfer Matrix Method (TMM) and the Finite-Dif...
Hartree-Fock Many-Body Perturbation Theory for Nuclear Ground-States
Tichai, Alexander; Binder, Sven; Roth, Robert
2016-01-01
We investigate the order-by-order convergence behavior of many-body perturbation theory (MBPT) as a simple and efficient tool to approximate the ground-state energy of closed-shell nuclei. To address the convergence properties directly, we explore perturbative corrections up to 30th order and highlight the role of the partitioning for convergence. The use of a simple Hartree-Fock solution to construct the unperturbed basis leads to a convergent MBPT series for soft interactions, in contrast to, e.g., a harmonic oscillator basis. For larger model spaces and heavier nuclei, where a direct high-order MBPT calculation in not feasible, we perform third-order calculation and compare to advanced ab initio coupled-cluster calculations for the same interactions and model spaces. We demonstrate that third-order MBPT provides ground-state energies for nuclei up into tin isotopic chain that are in excellent agreement with the best available coupled-cluster results at a fraction of the computational cost.
Car-following theory of steady-state traffic flow using time-to-collision
Institute of Scientific and Technical Information of China (English)
Sheng JIN; Zhi-yi HUANG; Peng-fei TAO; Dian-hai WANG
2011-01-01
The conventional car-following theory is based on the assumption that vehicles will travel along the center line of lanes.However,according to the field survey data,in complex traffic conditions,a lateral separation between the leader and the follower frequently occurs.Accordingly,by taking lateral separation into account,we redefined the equation of time-to-collision (TTC) using visual angle information.Based on the stimulus-response framework,TTC was introduced into the basic General Motors (GM) model as a stimulus,and a non-lane-based car-following model of steady-state traffic flow was developed.The property of flow-density relationship was further investigated after integrating the proposed car-following model with different parameters.The results imply that the property of steady-state traffic flow and the capacity of each lane are highly relevant to the microscopic staggered car-following behavior,and the proposed model significantly enhances the practicality of the human driving behavior model.
Sinha Ray, Suvonil; Ghosh, Pradipta; Chaudhuri, Rajat K.; Chattopadhyay, Sudip
2017-02-01
The state-specific multireference perturbation theory (SSMRPT) with an improved virtual orbital complete active space configuration interaction (IVO-CASCI) reference function [called as IVO-SSMRPT] is used to investigate the energy surface, geometrical parameters, molecular properties of spectroscopic interest for the systems/situations [such as BeH2, BeCH2, MgCH2, Si2H4, unimolecular dissociation of H2CO, and intramolecular reaction pathways of 1,3-butadiene] where the effect of quasidegeneracy cannot be neglected. The merit of using the IVO-CASCI rather than complete active space self-consistent field (CASSCF) is that it is free from iterations beyond those in the initial SCF calculation and the convergence difficulties that plague CASSCF calculations with increasing size of the CAS. While IVO-CASCI describes the non-dynamical correlation, the SSMRPT scheme is a good second-order perturbative approximation to account for the rest of the correlation energy. Our IVO-SSMRPT method is instrumental in avoiding intruder states in an size-extensive manner and allows the revision of the content of wave function in the model space. It can treat model as well as real systems with predictive accuracy, as is evident from the fairly nice accordance between our estimates, and high-level theoretical results. Our estimates also corroborate well with some experimental findings.
Energy Technology Data Exchange (ETDEWEB)
Lorquet, J. C., E-mail: jc.lorquet@ulg.ac.be [Department of Chemistry, University of Liège, Sart-Tilman (Bâtiment B6), B-4000 Liège 1 (Belgium)
2015-09-14
The purpose of the present work is to determine initial conditions that generate reacting, recrossing-free trajectories that cross the conventional dividing surface of transition state theory (i.e., the plane in configuration space passing through a saddle point of the potential energy surface and perpendicular to the reaction coordinate) without ever returning to it. Local analytical equations of motion valid in the neighborhood of this planar surface have been derived as an expansion in Poisson brackets. We show that the mere presence of a saddle point implies that reactivity criteria can be quite simply formulated in terms of elements of this series, irrespective of the shape of the potential energy function. Some of these elements are demonstrated to be equal to a sum of squares and thus to be necessarily positive, which has a profound impact on the dynamics. The method is then applied to a three-dimensional model describing an atom-diatom interaction. A particular relation between initial conditions is shown to generate a bundle of reactive trajectories that form reactive cylinders (or conduits) in phase space. This relation considerably reduces the phase space volume of initial conditions that generate recrossing-free trajectories. Loci in phase space of reactive initial conditions are presented. Reactivity is influenced by symmetry, as shown by a comparative study of collinear and bent transition states. Finally, it is argued that the rules that have been derived to generate reactive trajectories in classical mechanics are also useful to build up a reactive wave packet.
The theory of motion of quantum electromechanical plasmoid nanobots in a condensed-state medium
Beznosyuk, S. A.; Zhukovskii, M. S.; Potekaev, A. I.
2013-10-01
The theory of motion of quantum electromechanical plasmoid nanobots in a condensed-state medium is presented. The mechanism of a nanobot functioning is shown to be related to the quantum exchange between a nanoparticle and the quantum-field condensed-state system realized by a tangled ( e - e +)-plasmoid pair. The operation of an ( e - e +)-plasmoid is interpreted as a quantum analog of a fuel cell based on the nanoelectromechanical systems (NEMS) of a nanobot. It is the electrical and magnetic fields of force of the ( e - e +)-plasmoid which control the quantum motion of the NEMS-based nanobot. This ensures its response to an external action and allows the respective physical tools to be designed in order to control self-motion of the NEMS-based nanobot in a material medium. Two available mechanisms of the relaxational self-motion of a nanobot in the condensed matter are shown: conversion of the internal quantum-mechanical energy of the nanobot into the electrical energy of a quantum ( e - e +)-plasmoid and conversion of the electrical energy of a quantum ( e - e +)-plasmoid into the mechanical energy of the nanobot's motion in a material. These mechanisms prescribe a discrete manipulation of the NEMS-based nanobot in a material medium. The time, displacement, forces and power involved in the NEMS-based nanobot transportation are estimated.
Formation of ultracold RbCs molecules by photoassociation
Bouloufa-Maafa, N; Dulieu, O; Gabbanini, C
2011-01-01
The formation of ultracold metastable RbCs molecules is observed in a double species magneto-optical trap through photoassociation below the ^85Rb(5S_1/2)+^133Cs(6P_3/2) dissociation limit followed by spontaneous emission. The molecules are detected by resonance enhanced two-photon ionization. Using accurate quantum chemistry calculations of the potential energy curves and transition dipole moment, we interpret the observed photoassociation process as occurring at short internuclear distance, in contrast with most previous cold atom photoassociation studies. The vibrational levels excited by photoassociation belong to the 5th 0^+ or the 4th 0^- electronic states correlated to the Rb(5P_1/2,3/2)+Cs(6S_1/2) dissociation limit. The computed vibrational distribution of the produced molecules shows that they are stabilized in deeply bound vibrational states of the lowest triplet state. We also predict that a noticeable fraction of molecules is produced in the lowest level of the electronic ground state.
CS Radar Imaging via Adaptive CAMP
Anitori, L.; Otten, M.P.G.; Hoogeboom, P.
2012-01-01
In this paper we present results on application of Compressive Sensing (CS) to high resolution radar imaging and pro- pose the adaptive Complex Approximate Message Passing (CAMP) algorithm for image reconstruction. CS provides a theoretical framework that guarantees, under certain assumptions,
CS Radar Imaging via Adaptive CAMP
Anitori, L.; Otten, M.P.G.; Hoogeboom, P.
2012-01-01
In this paper we present results on application of Compressive Sensing (CS) to high resolution radar imaging and pro- pose the adaptive Complex Approximate Message Passing (CAMP) algorithm for image reconstruction. CS provides a theoretical framework that guarantees, under certain assumptions, recon
The CS molecule in diffuse interstellar clouds
Drdla, K.; Knapp, G.R.; Dishoeck, van E.F.
1989-01-01
The CS J = 2-1 emission line at 98 GHz has been searched for in 10 diffuse molecular clouds. CS column densities are derived by performing statistical equilibrium calculations for the rotational population distribution which includes collisional excitation by electrons as well as by neutral species.
Iyer, Ravi S
2012-01-01
Most CS & IT academics tend to have a focus on theory and research and do not give much importance to the practice of software development. This paper analyzes that the lack of career advancement incentive for CS & IT academics for mastering the practice of software development is the main reason for this rather odd situation. It proposes an additional software development career track for CS & IT academics different from the existing research oriented career track. A measure of software contribution record is suggested. It opines that adoption of such changes to academic regulations will result in significant improvement of software development skill set in CS & IT academia which, in turn, will result in better software development skill set in CS & IT graduates. While this paper uses the example of regulations of Indian CS & IT academia, similar academic regulations could be in use in other countries as well.
Clarification of Confusion in Level Scheme of 124Cs
Institute of Scientific and Technical Information of China (English)
YANG Dong; LU Jing-Bin; LIU Yun-Zuo; WANG Lie-Lin; MA Ke-Yan; YANG Chuan-Ding; HAN De-Kai; ZHAO Yan-Xin; MA Ying-Jun; ZHU Li-Hua; WU Xiao-Guang; LI Guang-Sheng
2009-01-01
Low-lying and high-spin states of 124Cs are studied through the 116Sn (11B,3n)124Cs reaction at a beam energy of 45 MeV.Several new linking transitions are observed,including three transitions between the yrast and πh11/2 (×) vd3/2 bands and two transitions between the yrast and πh11/2 (×) v(d5/2,g7/2) bands.These transitions fix the excitation energy of the yrast band and its decay path,and confirm the existence of eight E1 linking transitions between the yrast and πh11/2 (×) v( d5/2,g7/2) bands observed before.These E1 linldng transitions infer the octupole correlation in 124Cs.The decay paths of the yrast band are investigated,and discrepancies in the level scheme of 124Cs in the latest two studies are clarified.The reason for the discrepancies is discussed.A new decoupled band is established and temporarily assigned as the unfavored signature partner of πh11/2 (×) vd3/2 configuration.
Desorption of 137Cs+ from mosses
Directory of Open Access Journals (Sweden)
OLGICA NEDIC
2002-09-01
Full Text Available Mosses are biomonitors that accumulate large amounts of various pollutants, including radionuclides. In this work we investigated the possibility of 137Cs extraction from mosses, as well as the significance of species specificity on the efficiency of 137Cs desorption. Salt and acid solutions were used as extraction media. It was shown that a 5 % solution of both ammonium oxalate and phosphoric acid was able to desorb 81.8 % of 137Cs+ from Homalothecium sericeum, which was 39.9 % more than desorption from water. At the same time, most of the desorbed 137Cs+ was incorporated in crystals that precipitated from the solution. An interspecies difference in respect to 137Cs+ desorption was noticed.
Directory of Open Access Journals (Sweden)
Matthew D. Ward
2014-06-01
Full Text Available Crystals of tricaesium scandium(III hexachloride were obtained as a side product from the reaction of U, SnCl2, Sc, and S in a CsCl flux at 1073 K. Cs3ScCl6 crystallizes in the Rb3YCl6 structure type. The asymmetric unit comprises three Cs sites, two Sc sites, and six Cl sites, all of which have site symmetry 1, except for the two Sc sites that have site symmetries of 2 and -1, respectively. The structure is composed of isolated [ScCl6]3− octahedra that are surrounded by Cs+ cations. Two Cs+ cations have interactions with eight Cl− anions, while the third has interactions with ten Cl− anions.
Directory of Open Access Journals (Sweden)
George N. Oh
2011-02-01
Full Text Available Dicaesium uranium(IV tripalladium(II hexaselenide, Cs2UPd3Se6, crystallizes in the space group Fmmm in the Ba2NaCu3O6 structure type. The asymmetric unit comprises the following atoms with site symmetries as shown: U1 (mm2, Cs1 (222, Cs2 (m2m, Pd1 (.m., Pd2 (2mm, Se1 (m.., and Se2 (1. This layered structure contains six edge-sharing square-planar [PdSe4] units that form a hexagon. These, in turn, edge-share with [USe6] trigonal–prismatic units, forming an extended layer parallel to (010. The layers are stacked along [010]. They are staggered, and are separated by the Cs atoms. The Cs atoms are either coordinated in a square antiprism of Se atoms or are ten-coordinate, with one square face and the opposite face hexagonal.
Directory of Open Access Journals (Sweden)
A.I. Trofimov
2016-09-01
Full Text Available The paper presents the results of a theoretical justification and an experimental research for a method to measure the stressed state of welded joints in the nuclear power plant (NPP process components and circulation pipelines based on acoustoelasticity theory, as well as for ways to implement them technically. Devices for measuring the stressed state of welded joints in the NPP process components and circulation pipelines based on acoustoelasticity theory allow online measurement of residual stresses along the weld height and detection of crack formation points. The use of such devices will enable early crack detection in welded joints for an increased safety of the NPP operation.
Pressure dependence of structural phase transition and superconducting transition in CsI
Nirmala-Louis, C
2003-01-01
The self-consistent band structure calculation for CsI performed both in CsCl and HCP structures using the TB-LMTO method is reported. The equilibrium lattice constant, bulk modulus and the phase-transition pressure at which the compound undergoes structural phase transition from CsCl to HCP are predicted from the total-energy calculations. The band structure, density of states (DOS), electronic charge distributions, metallization and superconducting transition temperature (T sub c) of CsI are obtained as a function of pressure for both the CsCl and HCP structures. It is found that the charge transfer from s and p states to d state causes metallization and superconductivity in CsI. The highest T sub c estimated is 2.11 K and the corresponding pressure is 1.8 Mbar. This value is in agreement with the recent experimental observation. The experimental trend - ''metallization and superconductivity is rather insensitive to the crystal structure of CsI'' - is also confirmed in our work. (Abstract Copyright [2003], ...
Khalil, Nagi; Garzó, Vicente
2014-04-28
The homogeneous state of a binary mixture of smooth inelastic hard disks or spheres is analyzed. The mixture is driven by a thermostat composed by two terms: a stochastic force and a drag force proportional to the particle velocity. The combined action of both forces attempts to model the interaction of the mixture with a bath or surrounding fluid. The problem is studied by means of two independent and complementary routes. First, the Enskog kinetic equation with a Fokker-Planck term describing interactions of particles with thermostat is derived. Then, a scaling solution to the Enskog kinetic equation is proposed where the dependence of the scaled distributions φi of each species on the granular temperature occurs not only through the dimensionless velocity c = v/v0 (v0 being the thermal velocity) but also through the dimensionless driving force parameters. Approximate forms for φi are constructed by considering the leading order in a Sonine polynomial expansion. The ratio of kinetic temperatures T1/T2 and the fourth-degree velocity moments λ1 and λ2 (which measure non-Gaussian properties of φ1 and φ2, respectively) are explicitly determined as a function of the mass ratio, size ratio, composition, density, and coefficients of restitution. Second, to assess the reliability of the theoretical results, molecular dynamics simulations of a binary granular mixture of spheres are performed for two values of the coefficient of restitution (α = 0.9 and 0.8) and three different solid volume fractions (ϕ = 0.00785, 0.1, and 0.2). Comparison between kinetic theory and computer simulations for the temperature ratio shows excellent agreement, even for moderate densities and strong dissipation. In the case of the cumulants λ1 and λ2, good agreement is found for the lower densities although significant discrepancies between theory and simulation are observed with increasing density.