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.
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
Harris, Tina
2015-04-29
Grounded theory is a popular research approach in health care and the social sciences. This article provides a description of grounded theory methodology and its key components, using examples from published studies to demonstrate practical application. It aims to demystify grounded theory for novice nurse researchers, by explaining what it is, when to use it, why they would want to use it and how to use it. It should enable nurse researchers to decide if grounded theory is an appropriate approach for their research, and to determine the quality of any grounded theory research they read.
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 $N$.
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.
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.
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.
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.
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.
Directory of Open Access Journals (Sweden)
Vivian B. Martin, Ph.D.
2005-03-01
Full Text Available Bookshelf will provide critical reviews and perspectives on books on theory and methodology of interest to grounded theory. This issue includes a review of Heaton’s Reworking Qualitative Data, of special interest for some of its references to grounded theory as a secondary analysis tool; and Goulding’s Grounded Theory: A practical guide for management, business, and market researchers, a book that attempts to explicate the method and presents a grounded theory study that falls a little short of the mark of a fully elaborated theory.Reworking Qualitative Data, Janet Heaton (Sage, 2004. Paperback, 176 pages, $29.95. Hardcover also available.
[Introduction to grounded theory].
Wang, Shou-Yu; Windsor, Carol; Yates, Patsy
2012-02-01
Grounded theory, first developed by Glaser and Strauss in the 1960s, was introduced into nursing education as a distinct research methodology in the 1970s. The theory is grounded in a critique of the dominant contemporary approach to social inquiry, which imposed "enduring" theoretical propositions onto study data. Rather than starting from a set theoretical framework, grounded theory relies on researchers distinguishing meaningful constructs from generated data and then identifying an appropriate theory. Grounded theory is thus particularly useful in investigating complex issues and behaviours not previously addressed and concepts and relationships in particular populations or places that are still undeveloped or weakly connected. Grounded theory data analysis processes include open, axial and selective coding levels. The purpose of this article was to explore the grounded theory research process and provide an initial understanding of this methodology.
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.
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...
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.
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.
Whitfield, J D; Biamonte, J D
2012-01-01
Designing and optimizing cost functions and energy landscapes is a problem encountered in many fields of science and engineering. These landscapes and cost functions can be embedded and annealed in experimentally controllable spin Hamiltonians. Using an approach based on group theory and symmetries, we examine the embedding of Boolean logic gates into the ground state subspace of such spin systems. We describe parameterized families of diagonal Hamiltonians and symmetry operations which preserve the ground state subspace encoding the truth tables of Boolean formulas. The ground state embeddings of adder circuits are used to illustrate how gates are combined and simplified using symmetry. Our work is relevant for experimental demonstrations of ground state embeddings found in both classical optimization as well as adiabatic quantum optimization.
Kvaal, Simen; Helgaker, Trygve
2015-11-14
The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.
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.
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.
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.
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.
Reinventing Grounded Theory: Some Questions about Theory, Ground and Discovery
Thomas, Gary; James, David
2006-01-01
Grounded theory's popularity persists after three decades of broad-ranging critique. In this article three problematic notions are discussed--"theory," "ground" and "discovery"--which linger in the continuing use and development of grounded theory procedures. It is argued that far from providing the epistemic security promised by grounded theory,…
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids.
McClain, James; Sun, Qiming; Chan, Garnet Kin-Lic; Berkelbach, Timothy C
2017-03-14
We present the results of Gaussian-based ground-state and excited-state equation-of-motion coupled-cluster theory with single and double excitations for three-dimensional solids. We focus on diamond and silicon, which are paradigmatic covalent semiconductors. In addition to ground-state properties (the lattice constant, bulk modulus, and cohesive energy), we compute the quasiparticle band structure and band gap. We sample the Brillouin zone with up to 64 k-points using norm-conserving pseudopotentials and polarized double- and triple-ζ basis sets, leading to canonical coupled-cluster calculations with as many as 256 electrons in 2176 orbitals.
Thornberg, Robert
2012-01-01
There is a widespread idea that in grounded theory (GT) research, the researcher has to delay the literature review until the end of the analysis to avoid contamination--a dictum that might turn educational researchers away from GT. Nevertheless, in this article the author (a) problematizes the dictum of delaying a literature review in classic…
Coding Issues in Grounded Theory
Moghaddam, Alireza
2006-01-01
This paper discusses grounded theory as one of the qualitative research designs. It describes how grounded theory generates from data. Three phases of grounded theory--open coding, axial coding, and selective coding--are discussed, along with some of the issues which are the source of debate among grounded theorists, especially between its…
Coding Issues in Grounded Theory
Moghaddam, Alireza
2006-01-01
This paper discusses grounded theory as one of the qualitative research designs. It describes how grounded theory generates from data. Three phases of grounded theory--open coding, axial coding, and selective coding--are discussed, along with some of the issues which are the source of debate among grounded theorists, especially between its…
Kohn, W.
1983-01-01
It is shown that if n(r) is the discrete density on a lattice (enclosed in a finite box) associated with a nondegenerate ground state in an external potential v(r) (i.e., is 'v-representable'), then the density n(r) + mu(r), with m(r) arbitrary (apart from trivial constraints) and mu small enough, is also associated with a nondegenerate ground state in an external potential v'(r) near v(r); i.e., n(r) + m(r) is also v-representable. Implications for the Hohenberg-Kohn variational principle and the Kohn-Sham equations are discussed.
Ground-state and Pairing Properties of Pr Isotopes in RMF Theory
Institute of Scientific and Technical Information of China (English)
2002-01-01
The ground-state and pairing properties of Pr (Z=59) isotopes have been investigated in therelativistic mean-field (RMF). The pairing correlation is studied in Bardeen-Cooper-Schrieffer (BCS) approximation and the pairingforces are taken to be isospin dependent. The ’blocking’ method is adopted to deal with unpaired odd
Grofe, Adam; Qu, Zexing; Truhlar, Donald G; Li, Hui; Gao, Jiali
2017-03-14
We describe a diabatic-at-construction (DAC) strategy for defining diabatic states to determine the adiabatic ground and excited electronic states and their potential energy surfaces using the multistate density functional theory (MSDFT). The DAC approach differs in two fundamental ways from the adiabatic-to-diabatic (ATD) procedures that transform a set of preselected adiabatic electronic states to a new representation. (1) The DAC states are defined in the first computation step to form an active space, whose configuration interaction produces the adiabatic ground and excited states in the second step of MSDFT. Thus, they do not result from a similarity transformation of the adiabatic states as in the ATD procedure; they are the basis for producing the adiabatic states. The appropriateness and completeness of the DAC active space can be validated by comparison with experimental observables of the ground and excited states. (2) The DAC diabatic states are defined using the valence bond characters of the asymptotic dissociation limits of the adiabatic states of interest, and they are strictly maintained at all molecular geometries. Consequently, DAC diabatic states have specific and well-defined physical and chemical meanings that can be used for understanding the nature of the adiabatic states and their energetic components. Here we present results for the four lowest singlet states of LiH and compare them to a well-tested ATD diabatization method, namely the 3-fold way; the comparison reveals both similarities and differences between the ATD diabatic states and the orthogonalized DAC diabatic states. Furthermore, MSDFT can provide a quantitative description of the ground and excited states for LiH with multiple strongly and weakly avoided curve crossings spanning over 10 Å of interatomic separation.
Singlet Ground State Magnetism:
DEFF Research Database (Denmark)
Loidl, A.; Knorr, K.; Kjems, Jørgen;
1979-01-01
The magneticGamma 1 –Gamma 4 exciton of the singlet ground state system TbP has been studied by inelastic neutron scattering above the antiferromagnetic ordering temperature. Considerable dispersion and a pronounced splitting was found in the [100] and [110] directions. Both the band width...... and the splitting increased rapidly as the transition temperature was approached in accordance with the predictions of the RPA-theory. The dispersion is analysed in terms of a phenomenological model using interactions up to the fourth nearest neighbour....
Epelbaum, Evgeny; Lee, Dean; Meißner, Ulf-G
2008-01-01
We present lattice calculations for the ground state energy of dilute neutron matter at next-to-leading order in chiral effective field theory. This study follows a series of recent papers on low-energy nuclear physics using chiral effective field theory on the lattice. In this work we introduce an improved spin- and isospin-projected leading-order action which allows for a perturbative treatment of corrections at next-to-leading order and smaller estimated errors. Using auxiliary fields and Euclidean-time projection Monte Carlo, we compute the ground state of 8, 12, and 16 neutrons in a periodic cube, covering a density range from 2% to 10% of normal nuclear density.
Ground state properties of La isotopes in reflection asymmetric relativistic mean field theory
Institute of Scientific and Technical Information of China (English)
无
2009-01-01
The ground state properties of La isotopes are investigated with the reflection asymmetric relativistic mean field(RAS-RMF) model.The calculation results of binding energies and the quadrupole moments are in good agreements with the experiment.The calculation results indicate the change of the quadrupole deformation with the nuclear mass number.The "kink" on the isotope shifts is observed at A = 139 where the neutron number is the magic number N = 82.It is also found that the octupole deformations may exist in the La isotopes with mass number A ～ 145-155.
Ground state properties of La isotopes in reflection asymmetric relativistic mean field theory
Institute of Scientific and Technical Information of China (English)
WANG Nan; GUO Lu
2009-01-01
The ground state properties of La isotopes are investigated with the reflection asymmetric relativistic mean field (RAS-RMF) model.The calculation results of binding energies and the quadrupole moments are in good agreements with the experiment.The calculation results indicate the change of the quadrupole deformation with the nuclear mass number.The "kink" on the isotope shifts is observed at A=139 where the neutron number is the magic number N=82.It is also found that the octupole deformations may exist in the La isotopes with mass number A～ 145-155.
Institute of Scientific and Technical Information of China (English)
CAO, Xiao-Yan(曹晓燕); HONG, Gong-Yi(洪功义); WANG, Dian-Xun(王殿勋); LI, Le-Min(黎乐民); XU, Guang-Xian(徐光宪)
2000-01-01
Density Functional Theory (DFT) studies on the ground states (2A＇2) of NO3 radical and on the ground state (1A＇1) and the first triplet state (3E") of NO3+ cation provide an unambiguous prediction about their geometrical structure: the ground states of both NO3 radical and NO3+ cation have D3h symmetry and the geometrical configuration of the first triplet state 3E" of NO3+ cation has C2v symmetry. It is shown that s far as the ionization energy calculations on NO3 radical are concerned, the results are only slightly different, no mater that gradient corrections of the exchange-correlation energy are included during self-consistent iterations of they are included as perturbations after the self-consistent iterations.
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.
Lofrumento, C; Arci, F; Carlesi, S; Ricci, M; Castellucci, E; Becucci, M
2015-02-25
The analysis of ground state structural and vibrational properties of Safranin-O is presented. The experimental results, obtained by FTIR, Raman and SERS spectroscopy, are discussed in comparison to the results of DFT calculations carried out at the B3LYP/6-311+G(d,p) level of theory. The calculated spectra reproduce quite satisfactorily the experimental data. The calculated Safranin-O equilibrium structure and the assignment of the vibrational spectra are reported as well. From the changes between Raman and SERS spectra a model is presented for the interaction of Safranin-O with silver nanoparticles.
Santos, L F; Jacquod, P; Kusnezov, Dimitri; Jacquod, Ph.
2002-01-01
We explore generic ground-state and low-energy statistical properties of many-body bosonic and fermionic one- and two-body random ensembles (TBRE) in the dense limit, and contrast them with Random Matrix Theory (RMT). Weak differences in distribution tails can be attributed to the regularity or chaoticity of the corresponding Hamiltonians rather than the particle statistics. We finally show the universality of the distribution of the angular momentum gap between the lowest energy levels in consecutive J-sectors for the four models considered.
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.
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.
Nawa, Kenji; Kitaoka, Yukie; Nakamura, Kohji; Imamura, Hiroshi; Akiyama, Toru; Ito, Tomonori; Weinert, M.
2016-07-01
The ground-state electronic configurations of the correlated organometallic metallocenes, M Cp2,M =V , Cr, Mn, Fe, Co, and Ni, are investigated using constraint density functional theory combined with nonempirical Ueff parameters determined from linear-response theory. The relative stability of the various d -orbital electronic configurations of these organometallic molecules is found to be sensitive to the amount of correlation. Using nonempirical values of Ueff, the calculated electronic configurations are in agreement with the experiments: 4A2 g ,3E2 g ,6A1 g ,1A1 g ,2E1 g , and 3A2 g for the VCp2,CrCp2,MnCp2,FeCp2,CoCp2 , and NiCp2, respectively.
Systematic of Nuclear Ground State Properties in Sr Isotope by Covariant Density Functional Theory
Institute of Scientific and Technical Information of China (English)
TIAN; Yuan
2012-01-01
<正>The hyperfine structure and isotope shifts of Sr-isotopes, both even-even and odd-even nuclei, are studied in the covariant density functional theory (DFT) with the new parameter set DD-PC1. Pairing correlation is treated by using the Bogoliubov with a separable form of the pairing interaction. Spin-parity,
Theory of ground state cooling of a mechanical oscillator using dynamical backaction.
Wilson-Rae, I; Nooshi, N; Zwerger, W; Kippenberg, T J
2007-08-31
A quantum theory of cooling of a mechanical oscillator by radiation pressure-induced dynamical backaction is developed, which is analogous to sideband cooling of trapped ions. We find that final occupancies well below unity can be attained when the mechanical oscillation frequency is larger than the optical cavity linewidth. It is shown that the final average occupancy can be retrieved directly from the optical output spectrum.
Methodological issues in grounded theory.
Cutcliffe, J R
2000-06-01
Examination of the qualitative methodological literature shows that there appear to be conflicting opinions and unresolved issues regarding the nature and process of grounded theory. Researchers proposing to utilize this method would therefore be wise to consider these conflicting opinions. This paper therefore identifies and attempts to address four key issues, namely, sampling, creativity and reflexivity, the use of literature, and precision within grounded theory. The following recommendations are made. When utilizing a grounded method researchers need to consider their research question, clarify what level of theory is likely to be induced from their study, and then decide when they intend to access and introduce the second body of literature. They should acknowledge that in the early stages of data collection, some purposeful sampling appears to occur. In their search for conceptually dense theory, grounded theory researchers may wish to free themselves from the constraints that limit their use of creativity and tacit knowledge. Furthermore, the interests of researchers might be served by attention to issues of precision including, avoiding method slurring, ensuring theoretical coding occurs, and using predominantly one method of grounded theory while explaining and describing any deviation away from this chosen method. Such mindfulness and the resulting methodological rigour is likely to increase the overall quality of the inquiry and enhance the credibility of the findings.
The Virial Theorem and the Ground State Problem in Polaron Theory
2013-01-01
The virial theorem for the translation-invariant theory of a polaron [3] is discussed. It is shown that, in [3], Tulub made a nonoptimal choice of variational parameters in the strong-coupling limit, which led to the violation of the virial relations. The introduction of an additional variational parameter to the test function reduces the polaron energy and makes it possible to satisfy the relations of the virial theorem for a strong-coupling polaron (the Pekar 1 : 2 : 3 : 4 theorem).
Properties of the ground-state baryons in chiral perturbation theory
Energy Technology Data Exchange (ETDEWEB)
Martin Camalich, J., E-mail: camalich@ific.uv.e [Departamento de Fisica Teorica and IFIC, Universidad de Valencia-CSIC (Spain); Geng, L.S., E-mail: lisheng.geng@ph.tum.d [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Physik Department, Technische Universitaet Muenchen, D-85747 Garching (Germany); Vicente Vacas, J.M., E-mail: vicente@ific.uv.e [Departamento de Fisica Teorica and IFIC, Universidad de Valencia-CSIC (Spain)
2010-10-15
We review recent progress in the understanding of low-energy baryon structure by means of chiral perturbation theory. In particular, we discuss the application of this formalism to the description of various properties such as the baryon-octet magnetic moments, the electromagnetic structure of decuplet resonances and the hyperon vector coupling f{sub 1}(0). Moreover, we present the results on the chiral extrapolation of recent lattice QCD results on the lowest-lying baryon masses and we predict the corresponding baryonic sigma-terms.
Properties of the ground-state baryons in chiral perturbation theory
Martin-Camalich, J; Vacas, M J Vicente
2010-01-01
We review recent progress in the understanding of low-energy baryon structure by means of chiral perturbation theory. In particular, we discuss the application of this formalism to the description of various properties such as the baryon-octet magnetic moments, the electromagnetic structure of decuplet resonances and the hyperon vector coupling $f_1(0)$. Moreover, we present the results on the chiral extrapolation of recent lattice QCD results on the lowest-lying baryon masses and we predict the corresponding baryonic sigma-terms.
The virial theorem and the ground state problem in polaron theory
Energy Technology Data Exchange (ETDEWEB)
Kashirina, N. I., E-mail: n_kashirina@mail.ru [National Academy of Sciences of Ukraine, Institute of Semiconductor Physics (Ukraine); Lakhno, V. D., E-mail: lak@impb.psn.ru [Russian Academy of Sciences, Institute of Mathematical Problems of Biology (Russian Federation); Tulub, A. V., E-mail: tulub@NK7099.Spb.edu [St. Petersburg State University (Russian Federation)
2012-05-15
The virial theorem for the translation-invariant theory of a polaron [3] is discussed. It is shown that, in [3], Tulub made a nonoptimal choice of variational parameters in the strong-coupling limit, which led to the violation of the virial relations. The introduction of an additional variational parameter to the test function reduces the polaron energy and makes it possible to satisfy the relations of the virial theorem for a strong-coupling polaron (the Pekar 1: 2: 3: 4 theorem).
Energy Technology Data Exchange (ETDEWEB)
Säkkinen, Niko; Leeuwen, Robert van [Department of Physics, Nanoscience Center, University of Jyväskylä, Survontie 9, 40014 Jyväskylä (Finland); Peng, Yang [Dahlem Center for Complex Quantum Systems and Fachbereich Physik, Freie Universität Berlin, 14195 Berlin (Germany); Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem (Germany); Appel, Heiko [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem (Germany)
2015-12-21
We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is strongly correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction.
Grounded theory, feminist theory, critical theory: toward theoretical triangulation.
Kushner, Kaysi Eastlick; Morrow, Raymond
2003-01-01
Nursing and social science scholars have examined the compatibility between feminist and grounded theory traditions in scientific knowledge generation, concluding that they are complementary, yet not without certain tensions. This line of inquiry is extended to propose a critical feminist grounded theory methodology. The construction of symbolic interactionist, feminist, and critical feminist variants of grounded theory methodology is examined in terms of the presuppositions of each tradition and their interplay as a process of theoretical triangulation.
Dynasting Theory: Lessons in learning grounded theory
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Johnben Teik-Cheok Loy, MBA, MTS, Ph.D.
2011-06-01
Full Text Available This article captures the key learning lessons gleaned from the author’s experience learning and developing a grounded theory for his doctoral dissertation using the classic methodology as conceived by Barney Glaser. The theory was developed through data gathered on founders and successors of Malaysian Chinese family-own businesses. The main concern for Malaysian Chinese family businesses emerged as dynasting . the building, maintaining, and growing the power and resources of the business within the family lineage. The core category emerged as dynasting across cultures, where founders and successors struggle to transition from traditional Chinese to hybrid cultural and modernized forms of family business from one generation to the next. The key learning lessons were categorized under five headings: (a sorting through different versions of grounded theory, (b educating and managing research stakeholders, (c embracing experiential learning, (d discovering the core category: grounded intuition, and (e recognizing limitations and possibilities.Keywords: grounded theory, learning, dynasting, family business, Chinese
"Naturalist Inquiry" and Grounded Theory
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Barney G. Glaser
2004-01-01
Full Text Available The world of Qualitative Data Analysis (QDA methodology became quite taken with LINCOLN and GUBA's book "Naturalist Inquiry" (1985. I have no issue with it with respect to its application to QDA; it helped clarify and advance so many QDA issues. However, its application to Grounded Theory (GT has been a major block on GT, as originated, by its cooptation and corruption hence remodeling of GT by default. LINCOLN and GUBA have simply assumed GT is just another QDA method, which it is not. In "The Grounded Theory Perspective II" (GLASER 2002a, Chapter 9 on credibility, I have discussed "Naturalist Inquiry" (NI thought regarding how LINCOLN and GUBA's notion of "trustworthy" data (or worrisome data orientation and how their view of constant comparison can and has remodeled and eroded GT. In this paper I will consider other aspects of NI that remodel GT. URN: urn:nbn:de:0114-fqs040170
Grounded theory: methodology and philosophical perspective.
Ghezeljeh, Tahereh Najafi; Emami, Azita
2009-01-01
Constructivist grounded theory reshapes the interactive relationship between researcher and participants and provides the reader with a sense of the analytical views through which the researcher examines the data. This paper presents an overview of grounded theory and constructivist grounded theory, exploring the ontological, epistemological and methodological aspects using examples from nursing research.
The Development of Constructivist Grounded Theory
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Jane Mills
2006-03-01
Full Text Available Constructivist grounded theory is a popular method for research studies primarily in the disciplines of psychology, education, and nursing. In this article, the authors aim to locate the roots of constructivist grounded theory and then trace its development. They examine key grounded theory texts to discern their ontological and epistemological orientation. They find Strauss and Corbin's texts on grounded theory to possess a discernable thread of constructivism in their approach to inquiry. They also discuss Charmaz's landmark work on constructivist grounded theory relative to her positioning of the researcher in relation to the participants, analysis of the data, and rendering of participants' experiences into grounded theory. Grounded theory can be seen as a methodological spiral that begins with Glaser and Strauss' original text and continues today. The variety of epistemological positions that grounded theorists adopt are located at various points on this spiral and are reflective of their underlying ontologies.
"Naturalist Inquiry" and Grounded Theory
Barney G. Glaser
2004-01-01
Das Buch "Naturalist Inquiry" (NI) von LINCOLN und GUBA (1985) spielt eine wichtige Rolle für die Qualitative Datenanalyse (QDA). Dies ist für das Feld der QDA unproblematisch: NI hat hier wesentlich zur Verdeutlichung und weiteren Entfaltung methodologischer Fragen beigetragen. Bezogen auf die originäre Grounded Theory (GT) hat sich NI jedoch als Hindernis erwiesen durch sukzessive Mitnutzung und "Verfälschung" der ersteren: Für LINCOLN und GUBA ist GT ganz offensichtlich ein QDA-Verfahren (...
"Naturalist Inquiry" und Grounded Theory
Barney G. Glaser
2004-01-01
Das Buch "Naturalist Inquiry" (NI) von LINCOLN und GUBA (1985) spielt eine wichtige Rolle für die Qualitative Datenanalyse (QDA). Dies ist für das Feld der QDA unproblematisch: NI hat hier wesentlich zur Verdeutlichung und weiteren Entfaltung methodologischer Fragen beigetragen. Bezogen auf die originäre Grounded Theory (GT) hat sich NI jedoch als Hindernis erwiesen durch sukzessive Mitnutzung und "Verfälschung" der ersteren: Für LINCOLN und GUBA ist GT ganz offensichtlich ein QDA-Verfahren (...
Stop. Write! Writing Grounded Theory
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Barney G. Glaser, PhD, Hon. PhD
2012-06-01
Full Text Available The message in this book, the dictum in this book, is to stop and write when the Grounded Theory (GT methodology puts you in that ready position. Stop unending conceptualization, unending data coverage, and unending listening to others who would egg you on with additional data, ideas and/or requirements or simply wait too long. I will discuss these ideas in detail. My experience with PhD candidates is that for the few who write when ready, many do not and SHOULD. Simply put, many write-up, but many more should.
Getting grounded: using Glaserian grounded theory to conduct nursing research.
Hernandez, Cheri Ann
2010-03-01
Glaserian grounded theory is a powerful research methodology for understanding client behaviour in a particular area. It is therefore especially relevant for nurse researchers. Nurse researchers use grounded theory more frequently than other qualitative analysis research methods because of its ability to provide insight into clients' experiences and to make a positive impact. However, there is much confusion about the use of grounded theory.The author delineates key components of grounded theory methodology, areas of concern, and the resulting implications for nursing knowledge development. Knowledge gained from Glaserian grounded theory research can be used to institute measures for enhancing client-nurse relationships, improving quality of care, and ultimately improving client quality of life. In addition, it can serve to expand disciplinary knowledge in nursing because the resulting substantive theory is a middle-range theory that can be subjected to later quantitative testing.
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Kullie, Ossama [CNRS et Universite de Strasbourg, Institut de Chimie, Laboratoire de Chimie Quantique, 1 Rue Blaise Pascal, F- 67008 Strasbourg cedex (France)
2012-07-01
In this poster I present a (time-dependent) density functional study of the 20 low-lying excited states as well the ground states of the zinc dimer Zn{sub 2}. I analyze the spectrum of the dimer obtained form all electrons calculations which are performed using time-depended density functional with a relativistic 4-components-, and spin-free-Hamiltonian. I show results for different well-known density functional approximations, in comparing with literature and experimental values, the results are very encouraging, especially for the lowest excited states of these dimers. However, the results show that only the long-range corrected functionals such CAMB3LYP gives the correct asymptotic behavior for the higher states, for which the best result is obtained, and a comparable result is obtained from PBE0 functional.
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Nakata, Hiroya, E-mail: nakata.h.ab@m.titech.ac.jp [Center for Biological Resources and Informatics, Tokyo Institute of Technology, B-62 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8501 (Japan); RIKEN, Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Fedorov, Dmitri G. [NRI, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Yokojima, Satoshi [RIKEN, Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Tokyo University of Pharmacy and Life Sciences, 1423-1 Horinouchi, Hachioji-shi, Tokyo 192-0392 (Japan); Kitaura, Kazuo [Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan); Sakurai, Minoru [Center for Biological Resources and Informatics, Tokyo Institute of Technology, B-62 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8501 (Japan); Nakamura, Shinichiro [RIKEN, Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan)
2014-04-14
We extended the fragment molecular orbital (FMO) method interfaced with density functional theory (DFT) into spin unrestricted formalism (UDFT) and developed energy gradients for the ground state and single point excited state energies based on time-dependent DFT. The accuracy of FMO is evaluated in comparison to the full calculations without fragmentation. Electronic excitations in solvated organic radicals and in the blue copper protein, plastocyanin (PDB code: 1BXV), are reported. The contributions of solvent molecules to the electronic excitations are analyzed in terms of the fragment polarization and quantum effects such as interfragment charge transfer.
Grounded theory methodology--narrativity revisited.
Ruppel, Paul Sebastian; Mey, Günter
2015-06-01
This article aims to illuminate the role of narrativity in Grounded Theory Methodology and to explore an approach within Grounded Theory Methodology that is sensitized towards aspects of narrativity. The suggested approach takes into account narrativity as an aspect of the underlying data. It reflects how narrativity could be conceptually integrated and systematically used for shaping the way in which coding, category development and the presentation of results in a Grounded Theory Methodology study proceed.
Doma, S B
2016-01-01
The method of group theory is applied to investigate the ground and the excited states of the triton and helium nuclei by using the translation invariant shell model with basis functions corresponding to even number of quanta of excitations in the range 0 less than or equal to N less than or equal to 20. Accordingly, the ground and first excited state wave functions and energies, the S, P and D state probabilities, the root mean square radius and the magnetic dipole moment of triton have been investigated. Also, the energies and wave functions of the ground and the even parity excited states and the root mean square radius of helium have been investigated. Two residual two body interactions together with two three nucleon interactions have been used in the calculations. Moreover, the convergence of calculations has been examined by extrapolating the results with N less than or equals to 20 step by step to reach N equals to 30 for the two nuclei.
Grounded Theory Approach in Social Research
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Dr Venkat Pulla
2014-11-01
Full Text Available This paper discusses Grounded Theory, which is one of the newer methodologies becoming popular with social researchers since its evolution in the late 1960s. The paper discusses the principles and processes of the Grounded Theory and then explores the nature of codes, coding process and the concept of saturation. It then goes on to discuss the pros and cons, arguments for and against the use of Grounded Theory methodology in social research and explores the applicability of this methodology in producing sound theoretical basis for practice. Selected narratives from the author’s recent studies are used to explain the processes of Grounded Theory methodology.
The Validity of Divergent Grounded Theory Method
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Martin Nils Amsteus PhD
2014-02-01
Full Text Available The purpose of this article is to assess whether divergence of grounded theory method may be considered valid. A review of literature provides a basis for understanding and evaluating grounded theory. The principles and nature of grounded theory are synthesized along with theoretical and practical implications. It is deduced that for a theory to be truly grounded in empirical data, the method resulting in the theory should be the equivalent of pure induction. Therefore, detailed, specified, stepwise a priori procedures may be seen as unbidden or arbitrary. It is concluded that divergent grounded theory can be considered valid. The author argues that securing methodological transparency through the description of the actual principles and procedures employed, as well as tailoring them to the particular circumstances, is more important than adhering to predetermined stepwise procedures. A theoretical foundation is provided from which diverse theoretical developments and methodological procedures may be developed, judged, and refined based on their own merits.
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Barney G Glaser, Ph.D.; Hon Ph.D.
2006-06-01
Full Text Available I studied sociology at Stanford 1948 to 1952, which was partially fine but limited in those days. But then I knew I wanted to be a sociologist. Returning to the USA from the army in 1955 to study sociology at Columbia confirmed my goals. I bought the program 100% on doing sociology as my life work. All I do is sociology in every facet of life; work, recreation, family etc. My life is sociology driven and directed.Now let me give you a quote from Barton’s (1955, p.246 article of Paul F. Lazarsfeld [PFL], “Analyzing the logic of research operations to clarify concepts remained a key to PFL’s life”. It has been the key to my life also.“All is data” – that now sloganized tenet of Grounded Theory [GT] – clearly came from PFL per Barton’s words. Robert K. Merton’s [RKM] brief flicker of light – to admit to emergence (see Barton, p. 255 – became the key to GT’s theoretical stance.
Grounded Theory Methodology: Positivism, Hermeneutics, and Pragmatism
Age, Lars-Johan
2011-01-01
Glaserian grounded theory methodology, which has been widely adopted as a scientific methodology in recent decades, has been variously characterised as "hermeneutic" and "positivist." This commentary therefore takes a different approach to characterising grounded theory by undertaking a comprehensive analysis of: (a) the philosophical paradigms of…
Building Grounded Theory in Entrepreneurship Research
DEFF Research Database (Denmark)
Mäkelä, Markus; Turcan, Romeo V.
2007-01-01
In this chapter we describe the process of building of theory from data (Glaser and Strauss 1967; Strauss and Corbin 1998). We discuss current grounded theory in relation to research in entrepreneurship and point out directions and potential improvements for further research in this field...... our approach to grounded theory, we acknowledge the existence of other approaches and try to locate our approach in relation to them. As an important part of this discussion, we take a stand on how to usefully define ‘grounded theory’ and ‘case study research’. Second, we seek to firmly link our....... The chapter has two goals. First, we wish to provide an explicit paradigmatic positioning of the grounded theory methodology, discussing the most relevant views of ontology and epistemology that can be used as alternative starting points for conducting grounded theory research. While the chapter introduces...
Building Grounded Theory in Entrepreneurship Research
DEFF Research Database (Denmark)
Mäkelä, Markus; Turcan, Romeo V.
2007-01-01
our approach to grounded theory, we acknowledge the existence of other approaches and try to locate our approach in relation to them. As an important part of this discussion, we take a stand on how to usefully define ‘grounded theory’ and ‘case study research’. Second, we seek to firmly link our......In this chapter we describe the process of building of theory from data (Glaser and Strauss 1967; Strauss and Corbin 1998). We discuss current grounded theory in relation to research in entrepreneurship and point out directions and potential improvements for further research in this field...... discussion to the potential value of grounded theory research to the field of entrepreneurship and thus the need in this field of further grounded theory....
Grounded Theory as a General Research Methodology
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Judith A. Holton, Ph.D.
2008-06-01
Full Text Available Since its inception over forty years ago, grounded theory has achieved canonical status in the research world (Locke, 2001, p.1. Qualitative researchers, in particular, have embraced grounded theory although often without sufficient scholarship in the methodology (Partington, 2000, p.93; 2002, p.136. The embrace renders many researchers unable to perceive grounded theory as a general methodology and an alternative to the dominant qualitative and quantitative research paradigms. The result is methodological confusion and an often unconscious remodelling of the original methodology (Glaser, 2003. Given the various interpretations and approaches that have been popularised under the rubric of grounded theory, this paper addresses the important distinction between grounded theory as a general methodology and its popularisation as a qualitative research method. The paper begins with a brief overview of grounded theory’s origins and its philosophical foundations then continues by addressing the basic distinction between abstract conceptualisation as employed in classic grounded theory and the conceptual description approach as adopted by many qualitative researchers. The paper continues with a brief overview of the criteria for judging the quality of classic grounded theory and concludes by detailing its methodological principles.
Review Essay: A Journey through Grounded Theory
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Paula Krüger
2007-01-01
Full Text Available In "Constructing Grounded Theory", Kathy CHARMAZ guides the reader through the research process. Starting with a look back at the history of grounded theory, she explains how to gather rich data, code it, write memos, and compose the first draft. Through various examples from her own research CHARMAZ provides the reader not only with a theoretical description of how to construct a grounded theory but also with a way of seeing how new questions emerge from the data and new theory is built from it. She highlights central concepts, definitions, and useful questions, and offers the reader flexible guidelines to design and conduct a research project. Because of this, the book will be very useful for novices as well as for experts and (PhD- students in the late stages of their theses; it is a must-have for everyone who works with/on (constructivist grounded theory. URN: urn:nbn:de:0114-fqs0701256
Grounded theory as feminist research methodology.
Keddy, B; Sims, S L; Stern, P N
1996-03-01
Feminist research is evolving, and with it new methods of doing science. In this feminist post-positivist era, grounded theory, while less inclusive and descriptive than ethnography, allows for complex analysis of complex questions. While Glaser & Strauss (the originators of this methodology) have written about grounded theory in an esoteric way, others have written extensively about this method in a much clearer and less rigid fashion. In this paper we discuss how grounded theory could be used in a creative and constantly evolving manner for feminist research.
Doing Formal Grounded Theory: A review
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Tom Andrews PhD
2007-06-01
Full Text Available This is the latest in a family of Grounded Theory books by Glaser that continue to build on previous work and make the methodology much more explicit. Its purpose is quite simply to provide Grounded Theory researchers with a set of procedures that can be followed to generate a Formal Grounded Theory (FGT. Despite several chapters in previous books that deal with generating formal grounded theory it has been given scant attention by researchers and this book aims to reverse this. It brings together and synthesises these previous writings in one book and seeks to specify much more clearly what is meant by a formal grounded theory. As with other more recent books by Glaser, this one is based on data in that the procedures outlined are come from previously generated formal grounded theories. However, Glaser cautions that this is based on limited data since not many FGTs exist yet and as more are generated, the method will become more explicit. The book has been eagerly anticipated by grounded theorists and it does not disappoint.
[Thoughts regarding researchers utilizing Grounded Theory].
Leite, Joséte Luzia; da Silva, Laura Johanson; de Oliveira, Rosane Mara Pontes; Stipp, Marluci Andrade Conceição
2012-06-01
This descriptive-reflexive study was performed with the objective to present the characteristics of researchers who use the Grounded Theory method, and outline the development of aptitudes for the researcher to become a Grounded Theoretician. The theoretical discussion was based on the frameworks of this methodology and supported by the literature. The article presents the main demands of qualitative studies using Grounded Theory, and important behaviors, attitudes and characteristics developed by the researchers. It is concluded that learning about Grounded Theory involves more than operationalizing a group of procedures and techniques. It also involves facing challenges to change one's attitude as a researcher and develop new ways of thinking and researching, gathering knowledge based on data to form a theory.
Brics, M
2013-01-01
Favorably scaling numerical time-dependent many-electron techniques such as time-dependent density functional theory (TDDFT) with adiabatic exchange-correlation potentials typically fail in capturing highly correlated electron dynamics. We propose a method based on natural orbitals, i.e., the eigenfunctions of the one-body reduced density matrix, that is almost as inexpensive numerically as adiabatic TDDFT, but which is capable of describing correlated phenomena such as doubly excited states, autoionization, Fano profiles in the photoelectron spectra, and strong-field ionization in general. Equations of motion (EOM) for natural orbitals and their occupation numbers have been derived earlier. We show that by using renormalized natural orbitals (RNO) both can be combined into one equation governed by a hermitian effective Hamiltonian. We specialize on the two-electron spin-singlet system, known as being a "worst case" testing ground for TDDFT, and employ the widely used, numerically exactly solvable, one-dimens...
Demystifying Theoretical Sampling in Grounded Theory Research
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Jenna Breckenridge BSc(Hons,Ph.D.Candidate
2009-06-01
Full Text Available Theoretical sampling is a central tenet of classic grounded theory and is essential to the development and refinement of a theory that is ‘grounded’ in data. While many authors appear to share concurrent definitions of theoretical sampling, the ways in which the process is actually executed remain largely elusive and inconsistent. As such, employing and describing the theoretical sampling process can present a particular challenge to novice researchers embarking upon their first grounded theory study. This article has been written in response to the challenges faced by the first author whilst writing a grounded theory proposal. It is intended to clarify theoretical sampling for new grounded theory researchers, offering some insight into the practicalities of selecting and employing a theoretical sampling strategy. It demonstrates that the credibility of a theory cannot be dissociated from the process by which it has been generated and seeks to encourage and challenge researchers to approach theoretical sampling in a way that is apposite to the core principles of the classic grounded theory methodology.
Straussian Grounded-Theory Method: An Illustration
Thai, Mai Thi Thanh; Chong, Li Choy; Agrawal, Narendra M.
2012-01-01
This paper demonstrates the benefits and application of Straussian Grounded Theory method in conducting research in complex settings where parameters are poorly defined. It provides a detailed illustration on how this method can be used to build an internationalization theory. To be specific, this paper exposes readers to the behind-the-scene work…
Variational Transition State Theory
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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.
Pieper, Steven C.; Wiringa, R. B.; Pandharipande, V. R.
1990-01-01
A variational method is used to study the ground state of 16O. Expectation values are computed with a cluster expansion for the noncentral correlations in the wave function; the central correlations and exchanges are treated to all orders by Monte Carlo integration. The expansion has good convergence. Results are reported for the Argonne v14 two-nucleon and Urbana VII three-nucleon potentials.
Institute of Scientific and Technical Information of China (English)
ZhangHongfei; ZuoWei; SoojaeRenIm; ZhouXiaohong; LiJunqing
2003-01-01
In recent years the discovery of Super Heavy Element (SHE) with atomic number Z=108～116 has opened up a new era of research in nuclear physics, however, the extreme difficulties to synthesize SHE greatly restrict the experimental studies on it, so that the theoretical studies are very important. The Relativistic Mean Field theory (RMF) is proved to be a simple and successful theory due to its great success in describing the bulk properties at the β-stable valley, as well as nuclei far from the β-stable line, and gives good predictions for nuclei far beyond the end of the known periodic table. In the framework of RMF we have calculated the properties on SHN such as the binding energy, the deformation, single and double neutron separation energy, and the a-decay half-life and so on for nuclei Z=108～114 and N=156～190. The axial deformations considered by using the expansion of harmonic oscillator basis. The Lagrangian wc have used is as the following form:
A piece of cake: the ground-state energies in γ i -deformed = 4 SYM theory at leading wrapping order
Fokken, Jan; Sieg, Christoph; Wilhelm, Matthias
2014-09-01
In the non-supersymmetric γi-deformed = 4 SYM theory, the scaling dimensions of the operators tr[ Z L ] composed of L scalar fields Z receive finite-size wrapping and prewrapping corrections in the 't Hooft limit. In this paper, we calculate these scaling dimensions to leading wrapping order directly from Feynman diagrams. For L ≥ 3, the result is proportional to the maximally transcendental `cake' integral. It matches with an earlier result obtained from the integrability-based Lüscher corrections, TBA and Y-system equations. At L = 2, where the integrability-based equations yield infinity, we find a finite rational result. This result is renormalization-scheme dependent due to the non-vanishing β-function of an induced quartic scalar double-trace coupling, on which we have reported earlier. This explicitly shows that conformal invariance is broken — even in the 't Hooft limit. [Figure not available: see fulltext.
A piece of cake: the ground-state energies in gamma_i-deformed N=4 SYM theory
Fokken, Jan; Wilhelm, Matthias
2014-01-01
In the non-supersymmetric gamma_i-deformed N=4 SYM theory, the scaling dimensions of the operators tr[Z^L] composed of L scalar fields Z receive finite-size wrapping and prewrapping corrections in the 't Hooft limit. In this paper, we calculate these scaling dimensions to leading wrapping order directly from Feynman diagrams. For L>=3, the result is proportional to the maximally transcendental `cake' integral. It matches with an earlier result obtained from the integrability-based Luescher corrections, TBA and Y-system equations. At L=2, where the integrability-based equations yield infinity, we find a finite rational result. This result is renormalization-scheme dependent due to the non-vanishing beta-function of an induced quartic scalar double-trace coupling, on which we have reported earlier. This explicitly shows that conformal invariance is broken - even in the 't Hooft limit.
Agbemava, S E; Ring, P
2016-01-01
A systematic investigation of octupole deformed nuclei is presented for even-even systems with $Z\\leq 106$ located between the two-proton and two-neutron drip lines. For this study we use five most up-to-date covariant energy density functionals of different types, with a non-linear meson coupling, with density dependent meson couplings, and with density-dependent zero-range interactions. Pairing correlations are treated within relativistic Hartree-Bogoliubov (RHB) theory based on an effective separable particle-particle interaction of finite range. This allows us to assess theoretical uncertainties within the present covariant models for the prediction of physical observables relevant for octupole deformed nuclei. In addition, a detailed comparison with the predictions of non-relativistic models is performed. A new region of octupole deformation, centered around $Z\\sim 98, N\\sim 196$ is predicted for the first time. In terms of its size in the $(Z,N)$ plane and the impact of octupole deformation on binding e...
Doing Quantitative Grounded Theory: A theory of trapped travel consumption
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Mark S. Rosenbaum, Ph.D.
2008-11-01
Full Text Available All is data. Grounded theorists employ this sentence in their quest to create original theoretical frameworks. Yet researchers typically interpret the word gdatah to mean qualitative data or, more specifically, interview data collected from respondents. This is not to say that qualitative data is deficient; however, grounded theorists may be missing vast opportunities to create pioneering theories from quantitative data. Indeed, Glaser and Strauss (1967 argued that researchers would use qualitative and/or quantitative data to fashion original frameworks and related hypotheses, and Glaserfs (2008 recently published book, titledDoing Quantitative Grounded Theory, is an attempt to help researchers understand how to use quantitative data for grounded theory (GT.
Thermal ground state and nonthermal probes
Grandou, Thierry
2015-01-01
The Euclidean formulation of SU(2) Yang-Mills thermodynamics admits periodic, (anti)selfdual solutions to the fundamental, classical equation of motion which possess one unit of topological charge: (anti)calorons. A spatial coarse graining over the central region in a pair of such localised field configurations with trivial holonomy generates an inert adjoint scalar field $\\phi$, effectively describing the pure quantum part of the thermal ground state in the induced quantum field theory. The latter's local vertices are mediated by just-not-resolved (anti)caloron centers of action $\\hbar$. This is the basic reason for a rapid convergence of the loop expansion of thermodynamical quantities, polarization tensors, etc., their effective loop momenta being severely constrained in entirely fixed and physical unitary-Coulomb gauge. Here we show for the limit of zero holonomy how (anti)calorons associate a temperature independent electric permittivity and magnetic permeability to the thermal ground state of SU(2)$_{\\t...
Victimising of School Bullying: A Grounded Theory
Thornberg, Robert; Halldin, Karolina; Bolmsjo, Natalie; Petersson, Annelie
2013-01-01
The aim of this study was to investigate how individuals;who had been victims of school bullying; perceived their bullying experiences and how these had affected them; and to generate a grounded theory of being a victim of bullying at school. Twenty-one individuals, who all had prior experiences of being bullied in school for more than one year,…
A Grounded Theory of Adult Student Persistence
Capps, Rosemary
2010-01-01
This grounded theory study investigates adult student persistence at a community college. Student persistence in college is a prerequisite for degree achievement, which correlates with higher earnings and overall better quality of life. Persistence rates remain low for adult students, who combine their college endeavors with responsibilities to…
Electronic Ground State of Higher Acenes
Jiang, De-en
2007-01-01
We examine the electronic ground state of acenes with different number of fused benzene rings (up to 40) by using first principles density functional theory. Their properties are compared with those of infinite polyacene. We find that the ground state of acenes that consist of more than seven fused benzene rings is an antiferromagnetic (in other words, open-shell singlet) state, and we show that this singlet is not necessarily a diradical, because the spatially separated magnetizations for the spin-up and spin-down electrons increase with the size of the acene. For example, our results indicate that there are about four spin-up electrons localized at one zigzag edge of 20-acene. The reason that both acenes and polyacene have the antiferromagnetic ground state is due to the zigzag-shaped boundaries, which cause pi-electrons to localize and form spin orders at the edges. Both wider graphene ribbons and large rectangular-shaped polycyclic aromatic hydrocarbons have been shown to share this antiferromagnetic grou...
Lima, A. F.; Lalic, M. V.
2016-10-01
With objective to determine ground state magnetic structure of multiferroic hexagonal YMnO3 we performed systematic non-collinear spin density-functional-theory (DFT) study of six possible magnetic configurations of Mn ions, treating exchange and correlation effects by standard local-spin-density approximation (LSDA), by LSDA including Hubbard correction (LSDA+U), and taking into account the spin-orbit interaction. We found that P63 and P6´3 configurations are the most stable ones, with very small energy difference between them. This result substantiates conclusions of latest neutron-diffraction studies. Both configurations are characterized by canting of Mn spins that produces weak ferro- (P63) or anti-ferromagnetism (P6‧3) along the hexagonal c-axis. The calculated Mn magnetic moments are found to be in good agreement with experiment, and electronic structure generally agrees with previous non-collinear spin DFT studies that used different basis sets and exchange and correlation functionals.
Year 7 Students, Information Literacy, and Transfer: A Grounded Theory
Herring, James E.
2011-01-01
This study examined the views of year 7 students, teacher librarians, and teachers in three state secondary schools in rural New South Wales, Australia, on information literacy and transfer. The aims of the study included the development of a grounded theory in relation to information literacy and transfer in these schools. The study's perspective…
Grounded theory: building a middle-range theory in nursing
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Maria João Fernandes
2015-03-01
Full Text Available The development of nursing as a discipline results from a boom of investigations underway for nearly a century, and of the construction of theories that have arisen during the 1950’s, with greater relevance since the 1960’s. Giving continuation to the production of knowledge in nursing and seeking to contribute to the increase in the number of explanatory theories of the functional content of nurses, there is interest in answering the question: how can a middle-range theory in nursing be built that explains the nurse-elderly interaction in a successful aging process? As well, we address the goal of describing the process of building a middle-range theory in nursing. Middle-range theory refers to a qualitative paradigm study of inductive thinking, developed in the context of primary health care. The information was collected through participant observation and interviews. Method of analysis grounded theory by Corbin and Strauss(1 was followed, utilizing the triangulation of data and theoretical sampling. Grounded theory has become a method of analysis which facilitates the understanding and explanation of the phenomenon under study. By making clear the nature and process of the nurse-elderly interaction in the selected context and within the context of successful aging, a middle-range theory proposal emerged.
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
Grounded theory in medical education research: AMEE Guide No. 70.
Watling, Christopher J; Lingard, Lorelei
2012-01-01
Qualitative research in general and the grounded theory approach in particular, have become increasingly prominent in medical education research in recent years. In this Guide, we first provide a historical perspective on the origin and evolution of grounded theory. We then outline the principles underlying the grounded theory approach and the procedures for doing a grounded theory study, illustrating these elements with real examples. Next, we address key critiques of grounded theory, which continue to shape how the method is perceived and used. Finally, pitfalls and controversies in grounded theory research are examined to provide a balanced view of both the potential and the challenges of this approach. This Guide aims to assist researchers new to grounded theory to approach their studies in a disciplined and rigorous fashion, to challenge experienced researchers to reflect on their assumptions, and to arm readers of medical education research with an approach to critically appraising the quality of grounded theory studies.
Reinhardt, William P.; Perry, Heidi
2003-01-01
The possibility, envisaged in 1925 by Einstein following the suggestion of Bose, of a dilute gas of atoms being condensed into a single quantum state was experimentally achieved in 1995 following decades of research. An avalanche of experiment and theory has followed, leading to the awarding of the 2001 Nobel Prizes in Physics to three of the pioneering experimentalists. Theory, mostly couched in the language and formalism of condensed matter physics, has developed apace. What we point out he...
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.
Levy, Mel
2016-01-01
It is observed that the exact interacting ground-state electronic energy of interest may be obtained directly, in principle, as a simple sum of orbital energies when a universal density-dependent term is added to $w\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$, the familiar Hartree plus exchange-correlation component in the Kohn-Sham effective potential. The resultant shifted potential, $\\bar{w}\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$, actually changes less on average than $w\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$ when the density changes, including the fact that $\\bar{w}\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$ does not undergo a discontinuity when the number of electrons increases through an integer. Thus the approximation of $\\bar{w}\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$ represents an alternative direct approach for the approximation of the ground-state energy and density.
No theory of justice can ground health care reform.
Trotter, Griffin
2012-01-01
This essay argues that no theory or single conception of justice can provide a fundamental grounding for health care reform in the United States. To provide such a grounding, (1) there would need to be widespread support among citizens for a particular conception of justice, (2) citizens would have to apprehend this common conception of justice as providing the strongest available rationale for health care reform, and (3) this rationale would have to overwhelm countervailing values. I argue that neither of the first two conditions is met.
Ground-state structures of Hafnium clusters
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Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technoloty, Multimedia University, Melaca Campus, 75450 Melaka (Malaysia)
2015-04-24
Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.
New ground state for quantum gravity
Magueijo, Joao
2012-01-01
In this paper we conjecture the existence of a new "ground" state in quantum gravity, supplying a wave function for the inflationary Universe. We present its explicit perturbative expression in the connection representation, exhibiting the associated inner product. The state is chiral, dependent on the Immirzi parameter, and is the vacuum of a second quantized theory of graviton particles. We identify the physical and unphysical Hilbert sub-spaces. We then contrast this state with the perturbed Kodama state and explain why the latter can never describe gravitons in a de Sitter background. Instead, it describes self-dual excitations, which are composites of the positive frequencies of the right-handed graviton and the negative frequencies of the left-handed graviton. These excitations are shown to be unphysical under the inner product we have identified. Our rejection of the Kodama state has a moral tale to it: the semi-classical limit of quantum gravity can be the wrong path for making contact with reality (w...
复合地基固结解析理论的研究现状%STATE THE ART OF CONSOLIDATION THEORY FOR COMPOSITE GROUND
Institute of Scientific and Technical Information of China (English)
杨涛; 万贻浩; 何德胜
2015-01-01
Composite ground technology was widely used in many engineering fields , such as water conservancy , highway, high-speed railway and other industrial and civil engineering .So far, research on consolidation theory of composite ground was made great progress .The recent advancements in theoretical solutions for consolidation of composite ground were summarized , and problems in present solutions were pointed out in the paper .Valuable proposals for further research on the project were offered .%复合地基加固技术在水利、高速公路、高速铁路以及土木建筑等工程中得到广泛应用，复合地基固结理论的研究也取得了较大进展。在总结国内外复合地基固结解析解研究现状的基础上，指出目前解析法研究中存在问题，并对复合地基固结理论的进一步研究提出建议。
Thermodynamic ground states of platinum metal nitrides
Energy Technology Data Exchange (ETDEWEB)
Aberg, D; Sadigh, B; Crowhurst, J; Goncharov, A
2007-10-09
We have systematically studied the thermodynamic stabilities of various phases of the nitrides of the platinum metal elements using density functional theory. We show that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability can extend up to 17 GPa for PtN{sub 2}. Furthermore, we show that according to calculations using the local density approximation, these new compounds are also thermodynamically stable at ambient pressure and thus may be the ground state phases for these materials. We further discuss the fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures.
Moral Distress Model Reconstructed Using Grounded Theory.
Ko, Hsun-Kuei; Chin, Chi-Chun; Hsu, Min-Tao
2016-12-29
The problems of nurse burnout and manpower shortage relate to moral distress. Thus, having a good understanding of moral distress is critical to developing strategies that effectively improve the clinical ethical climate and improve nursing retention in Taiwan. The aim of this study was to reconstruct the model of moral distress using the grounded theory. Twenty-five staff nurses at work units who attend to the needs of adult, pediatric, acute, and critical disease or end-of-life-care patients were recruited as participants using theoretical sampling from three teaching hospitals in Taiwan. Data were collected using intensive, 2- to 3-hour interviews with each participant. Audio recordings of the interviews were made and then converted into transcripts. The data were analyzed using the grounded theory. In the clinical setting, the perspective that nurses take toward clinical moral events reflects their moral values, which trigger moral cognition, provocation, and appraisal. The moral barriers that form when moral events that occur in clinical settings contradict personal moral values may later develop into moral distress. In handling moral barriers in the clinical environment, nurses make moral judgments and determine what is morally correct. Influenced by moral efficacy, the consequence may either be a moral action or an expression of personal emotion. Wasting National Health Insurance resources and Chinese culture are key sources of moral distress for nurses in Taiwan. The role of self-confidence in promoting moral efficacy and the role of heterodox skills in promoting moral actions represent findings that are unique to this study. The moral distress model was used in this study to facilitate the development of future nursing theories. On the basis of our findings, we suggested that nursing students be encouraged to use case studies to establish proper moral values, improve moral cognition and judgment capabilities, and promote moral actions to better handle the
Grounded theory and leadership research: A critical realist perspective
2011-01-01
The methodology of grounded theory has great potential to contribute to our understanding of leadership within particular substantive contexts. However, our notions of good science might constrain these contributions. We argue that for grounded theorists a tension might exist between a desire to create a contextualised theory of leadership and a desire for scientifically justified issues of validity and generalizable theory. We also explore how the outcome of grounded theory research can crea...
Krishtal, Alisa; Sinha, Debalina; Genova, Alessandro; Pavanello, Michele
2015-05-01
Subsystem density-functional theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible.
Langevin equation path integral ground state.
Constable, Steve; Schmidt, Matthew; Ing, Christopher; Zeng, Tao; Roy, Pierre-Nicholas
2013-08-15
We propose a Langevin equation path integral ground state (LePIGS) approach for the calculation of ground state (zero temperature) properties of molecular systems. The approach is based on a modification of the finite temperature path integral Langevin equation (PILE) method (J. Chem. Phys. 2010, 133, 124104) to the case of open Feynman paths. Such open paths are necessary for a ground state formulation. We illustrate the applicability of the method using model systems and the weakly bound water-parahydrogen dimer. We show that the method can lead to converged zero point energies and structural properties.
On the ground state of metallic hydrogen
Chakravarty, S.; Ashcroft, N. W.
1978-01-01
A proposed liquid ground state of metallic hydrogen at zero temperature is explored and a variational upper bound to the ground state energy is calculated. The possibility that the metallic hydrogen is a liquid around the metastable point (rs = 1.64) cannot be ruled out. This conclusion crucially hinges on the contribution to the energy arising from the third order in the electron-proton interaction which is shown here to be more significant in the liquid phase than in crystals.
A global approach to ground state solutions
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Philip Korman
2008-08-01
Full Text Available We study radial solutions of semilinear Laplace equations. We try to understand all solutions of the problem, regardless of the boundary behavior. It turns out that one can study uniqueness or multiplicity properties of ground state solutions by considering curves of solutions of the corresponding Dirichlet and Neumann problems. We show that uniqueness of ground state solutions can sometimes be approached by a numerical computation.
A global approach to ground state solutions
2008-01-01
We study radial solutions of semilinear Laplace equations. We try to understand all solutions of the problem, regardless of the boundary behavior. It turns out that one can study uniqueness or multiplicity properties of ground state solutions by considering curves of solutions of the corresponding Dirichlet and Neumann problems. We show that uniqueness of ground state solutions can sometimes be approached by a numerical computation.
Book Review: Grounded Theory: A practical guide (Birks & Mills, 2011
Directory of Open Access Journals (Sweden)
Astrid Gynnild, Ph.D.
2011-12-01
Full Text Available What is grounded theory and how is a grounded theory study carried out? Several recent publications have been trying to answer these questions, building on a literature list on the topic that covers more than 40 years of research and scholarship. According to the authors, this book is aimed at beginner researchers, research students and experienced researchers from a variety of disciplines who are unfamiliar with grounded theory.
Review Essay: Eine Reise durch die Grounded Theory
2007-01-01
In "Constructing Grounded Theory" begleitet Kathy CHARMAZ die Leser(innen) durch den Forschungsprozess. Ausgehend von einem historischen Rückblick auf die Entwicklung der Grounded Theory Methodologie führt sie die Lesenden von der Datenerfassung über das Kodieren zum Schreiben von Memos und schließlich zum ersten Entwurf der eigenen Grounded Theory. Durch die zahlreichen Beispiele aus ihrer eigenen Forschung erhalten Lesende jedoch mehr als einen theoretischen Überblick; sie haben vielmehr di...
Book Review: Grounded Theory: A practical guide (Birks & Mills, 2011)
Astrid Gynnild, Ph.D.
2011-01-01
What is grounded theory and how is a grounded theory study carried out? Several recent publications have been trying to answer these questions, building on a literature list on the topic that covers more than 40 years of research and scholarship. According to the authors, this book is aimed at beginner researchers, research students and experienced researchers from a variety of disciplines who are unfamiliar with grounded theory.
2012-01-01
A grounded theory study that examined how practitioners in a county alternative and correctional education setting identify youth with emotional and behavioral difficulties for special education services provides an exemplar for a constructivist approach to grounded theory methodology. Discussion focuses on how a constructivist orientation to grounded theory methodology informed research decisions, shaped the development of the emergent grounded theory, and prompted a way of thinking about da...
Upper Bounds on the Degeneracy of the Ground State in Quantum Field Models
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Asao Arai
2016-01-01
Full Text Available Axiomatic abstract formulations are presented to derive upper bounds on the degeneracy of the ground state in quantum field models including massless ones. In particular, given is a sufficient condition under which the degeneracy of the ground state of the perturbed Hamiltonian is less than or equal to the degeneracy of the ground state of the unperturbed one. Applications of the abstract theory to models in quantum field theory are outlined.
Ground states for nonuniform periodic Ising chains
Martínez-Garcilazo, J. P.; Ramírez, C.
2015-04-01
We generalize Morita's works [J. Phys. A 7, 289 (1974), 10.1088/0305-4470/7/2/014; J. Phys. A 7, 1613 (1974), 10.1088/0305-4470/7/13/015] on ground states of Ising chains, for chains with a periodic structure and different spins, to any interaction order. The main assumption is translational invariance. The length of the irreducible blocks is a multiple of the period of the chain. If there is parity invariance, it restricts the length in general only in the diatomic case. There are degenerated states and under certain circumstances there could be nonregular ground states. We illustrate the results and give the ground state diagrams in several cases.
Book Review: Essentials of Accessible Grounded Theory (Stern & Porr, 2011
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Odis E. Simmons, Ph.D.
2011-12-01
Full Text Available Although Porr is a relative newcomer to grounded theory, Stern has been at it for many years (she received her PhD under Glaser and Strauss in 1977. She has been instrumental in introducing many students to grounded theory, particularly in the nursing field, as well as making notable contributions to grounded theory literature. As Stern’s (1994 observations and insights suggested, constructivist versions of grounded theory emerged and spread in part because grounded theory was often being taught by teachers who themselves had a superficial, distorted understanding of the methodology, because they had learned it “minus mentor.” Given her observations, insights, and writings, when I began reading Essentials, my expectations were high. But, after reading it, I concluded that, in some important ways, it falls short. Given Stern’s considerable experience and previous contributions to grounded theory, it is ironic that Essentials contains more confusing and subtly inaccurate content than a book written for neophyte grounded theorists should. Although I think it is a noble effort with useful information, it contains material that is at variance with classic grounded theory, yet this isn’t made clear to the reader. Because Stern and Porr failed to make a clear distinction between classic and other forms of grounded theory, many readers, particularly neophytes, will of course expect that what they present in this book accurately represents essential canons of all types of grounded theory, including classic. Readers will carry the understandings and misunderstandings gained from the book into their research and discussions with other neophytes and individuals who express interest in grounded theory.
Making sense of grounded theory in medical education.
Kennedy, Tara J T; Lingard, Lorelei A
2006-02-01
Grounded theory is a research methodology designed to develop, through collection and analysis of data that is primarily (but not exclusively) qualitative, a well-integrated set of concepts that provide a theoretical explanation of a social phenomenon. This paper aims to provide an introduction to key features of grounded theory methodology within the context of medical education research. In this paper we include a discussion of the origins of grounded theory, a description of key methodological processes, a comment on pitfalls encountered commonly in the application of grounded theory research, and a summary of the strengths of grounded theory methodology with illustrations from the medical education domain. The significant strengths of grounded theory that have resulted in its enduring prominence in qualitative research include its clearly articulated analytical process and its emphasis on the generation of pragmatic theory that is grounded in the data of experience. When applied properly and thoughtfully, grounded theory can address research questions of significant relevance to the domain of medical education.
Constructing a Grounded Theory of E-Learning Assessment
Alonso-Díaz, Laura; Yuste-Tosina, Rocío
2015-01-01
This study traces the development of a grounded theory of assessment in e-learning environments, a field in need of research to establish the parameters of an assessment that is both reliable and worthy of higher learning accreditation. Using grounded theory as a research method, we studied an e-assessment model that does not require physical…
Using grounded theory as a method for rigorously reviewing literature
Wolfswinkel, J.; Furtmueller, E.; Wilderom, C.P.M.
2013-01-01
This paper offers guidance to conducting a rigorous literature review. We present this in the form of a five-stage process in which we use Grounded Theory as a method. We first probe the guidelines explicated by Webster and Watson, and then we show the added value of Grounded Theory for rigorously a
Grounded Theory in Practice: Is It Inherently a Mixed Method?
Johnson, R. B.; McGowan, M. W.; Turner, L. A.
2010-01-01
We address 2 key points of contention in this article. First, we engage the debate concerning whether particular methods are necessarily linked to particular research paradigms. Second, we briefly describe a mixed methods version of grounded theory (MM-GT). Grounded theory can be tailored to work well in any of the 3 major forms of mixed methods…
Borromean ground state of fermions in two dimensions
Volosniev, A. G.; Fedorov, D. V.; Jensen, A. S.; Zinner, N. T.
2014-09-01
The study of quantum mechanical bound states is as old as quantum theory itself. Yet, it took many years to realize that three-body Borromean systems that are bound when any two-body subsystem is unbound are abundant in nature. Here we demonstrate the existence of Borromean systems of spin-polarized (spinless) identical fermions in two spatial dimensions. The ground state with zero orbital (planar) angular momentum exists in a Borromean window between critical two- and three-body strengths. The doubly degenerate first excited states of angular momentum one appears only very close to the two-body threshold. They are the lowest in a possible sequence of so-called super-Efimov states. While the observation of the super-Efimov scaling could be very difficult, the Borromean ground state should be observable in cold atomic gases and could be the basis for producing a quantum gas of three-body states in two dimensions.
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.
Ground states of linearly coupled Schrodinger systems
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Haidong Liu
2017-01-01
Full Text Available This article concerns the standing waves of a linearly coupled Schrodinger system which arises from nonlinear optics and condensed matter physics. The coefficients of the system are spatially dependent and have a mixed behavior: they are periodic in some directions and tend to positive constants in other directions. Under suitable assumptions, we prove that the system has a positive ground state. In addition, when the L-infinity-norm of the coupling coefficient tends to zero, the asymptotic behavior of the ground states is also obtained.
Trapped Antihydrogen in Its Ground State
Gabrielse, G; Kolthammer, W S; McConnell, R; Richerme, P; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D W; George, M C; Hessels, E A; Storry, C H; Weel, M; Mullers, A; Walz, J
2012-01-01
Antihydrogen atoms are confined in an Ioffe trap for 15 to 1000 seconds -- long enough to ensure that they reach their ground state. Though reproducibility challenges remain in making large numbers of cold antiprotons and positrons interact, 5 +/- 1 simultaneously-confined ground state atoms are produced and observed on average, substantially more than previously reported. Increases in the number of simultaneously trapped antithydrogen atoms H are critical if laser-cooling of trapped antihydrogen is to be demonstrated, and spectroscopic studies at interesting levels of precision are to be carried out.
Ground state of a confined Yukawa plasma
Henning, C; Block, D; Bonitz, M; Golubnichiy, V; Ludwig, P; Piel, A
2006-01-01
The ground state of an externally confined one-component Yukawa plasma is derived analytically. In particular, the radial density profile is computed. The results agree very well with computer simulations on three-dimensional spherical Coulomb crystals. We conclude in presenting an exact equation for the density distribution for a confinement potential of arbitrary geometry.
Rearrangements in ground and excited states
de Mayo, Paul
1980-01-01
Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;
Simulation of the hydrogen ground state in stochastic electrodynamics
Nieuwenhuizen, Theo M.; Liska, Matthew T. P.
2015-10-01
Stochastic electrodynamics is a classical theory which assumes that the physical vacuum consists of classical stochastic fields with average energy \\frac{1}{2}{{\\hslash }}ω in each mode, i.e., the zero-point Planck spectrum. While this classical theory explains many quantum phenomena related to harmonic oscillator problems, hard results on nonlinear systems are still lacking. In this work the hydrogen ground state is studied by numerically solving the Abraham-Lorentz equation in the dipole approximation. First the stochastic Gaussian field is represented by a sum over Gaussian frequency components, next the dynamics is solved numerically using OpenCL. The approach improves on work by Cole and Zou 2003 by treating the full 3d problem and reaching longer simulation times. The results are compared with a conjecture for the ground state phase space density. Though short time results suggest a trend towards confirmation, in all attempted modellings the atom ionises at longer times.
Directory of Open Access Journals (Sweden)
Graham J.J. Kenealy, Ph.D.
2008-06-01
Full Text Available Grounded theory is a systematic methodology for the collection and analysis of data which was discovered by Glaser and Strauss in the 1960’s. The discovery of this method was first presented to the academic community in their book ‘The Discovery of Grounded Theory’ (1967 which still remains a primary point of reference for those undertaking qualitative research and grounded theory in particular. This powerful research method has become very popular in some research domains; whilst increasing in popularity it is still less prevalent in the field of organisational and management research particularly in its original form. This self reflexive paper sets out to explore the possibilities for this imbalance which takes the discussion onto the areas of methodological adaptation and training. It also enters the debate about access to research subjects and provides a succinct argument supporting the notion that grounded theory should simply be viewed as a method that develops empirically grounded conceptual theory.
Trapping cold ground state argon atoms.
Edmunds, P D; Barker, P F
2014-10-31
We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39) C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10) cm(3) s(-1).
Fate of the Superconducting Ground State on the Moyal Plane
Basu, Prasad; Vaidya, Sachindeo
2009-01-01
It is known that Berry curvature of the band structure of certain crystals can lead to effective noncommutativity between spatial coordinates. Using the techniques of twisted quantum field theory, we investigate the question of the formation of a paired state of twisted fermions in such a system. We find that to leading order in the noncommutativity parameter, the gap between the non-interacting ground state and the paired state is {\\it smaller} compared to its commutative counterpart. This suggests that BCS type superconductivity, if present in such systems, is more fragile and easier to disrupt.
The application of grounded theory and symbolic interactionism.
Jeon, Yun-Hee
2004-09-01
This paper describes the methodological and theoretical context and underpinnings of a study that examined community psychiatric nurses' work with family caregivers of older people with depression. The study used grounded theory research methods, with its theoretical foundations drawn from symbolic interactionism. The aims of the study were to describe and conceptualize the processes involved when community nurses work and interact with family caregivers and to develop an explanatory theory of these processes. This paper begins with an explanation of the rationale for using grounded theory as the method of choice, followed by a discussion of the theoretical underpinnings of the study, including a brief summary of the nature and origins of symbolic interactionism. Key premises of symbolic interactionism regarded as central to the study are outlined and an analytical overview of the grounded theory method is provided. The paper concludes with a commentary on some of the issues and debates in the use of grounded theory in nursing research. The main purpose of this paper is to provide a methodical and critical review of symbolic interactionism and grounded theory that can help readers, particularly those who are intending to use grounded theory, better understand the processes involved in applying this method to their research.
De-tabooing dying control - a grounded theory study
National Research Council Canada - National Science Library
Thulesius, Hans O; Scott, Helen; Helgesson, Gert; Lynöe, Niels
2013-01-01
...?" What emerged was to eventually present a grounded theory of control of dying focusing specifically on how people react in relation to issues about euthanasia and physician-assisted suicide (PAS...
From Darwin to constructivism: the evolution of grounded theory.
Hall, Helen; Griffiths, Debra; McKenna, Lisa
2013-01-01
To explore the evolution of grounded theory and equip the reader with a greater understanding of the diverse conceptual positioning that is evident in the methodology. Grounded theory was developed during the modernist phase of research to develop theories that are derived from data and explain human interaction. Its philosophical foundations derive from symbolic interactionism and were influenced by a range of scholars including Charles Darwin and George Mead. Rather than a rigid set of rules and procedures, grounded theory is a way of conceptualising data. Researchers demonstrate a range of perspectives and there is significant variation in the way the methodology is interpreted and executed. Some grounded theorists continue to align closely with the original post-positivist view, while others take a more constructivist approach. Although the diverse interpretations accommodate flexibility, they may also result in confusion. The grounded theory approach enables researchers to align to their own particular world view and use methods that are flexible and practical. With an appreciation of the diverse philosophical approaches to grounded theory, researchers are enabled to use and appraise the methodology more effectively.
Grounded theory and feminist inquiry: revitalizing links to the past.
Plummer, Marilyn; Young, Lynne E
2010-04-01
Grounded theory has served feminist research endeavors since the mid-1990s. Researchers from a variety of disciplines claim methodological compatibility and incorporate feminist principles into their grounded theory studies. This article seeks to demonstrate the epistemological affinity between feminist inquiry and grounded theory. Although this relationship is not necessarily unique, the authors contend that when combined, it loosens the androcentric moorings of the empirical processes underpinning grounded theory, enabling the researchers to design inquiry with greater potential to reveal issues particular to the lives and experiences of marginalized women. The article begins by retracing the roots of grounded theory and feminist inquiry to identify six key areas where the underpinnings of GT are enriched by a feminist perspective when working with women. In addition, the authors draw on the literature and their experience from a 2005 study of peer support and lone mothers' health to demonstrate the advantages of combining these theoretical perspectives. Finally, the authors recommend that nurse researchers draw on feminist principles to guide their use of grounded theory to better serve the interests of women by surfacing issues of gender and power that influence the health experience.
Magnetic properties of ground-state mesons
Energy Technology Data Exchange (ETDEWEB)
Simonis, V. [Vilnius University Institute of Theoretical Physics and Astronomy, Vilnius (Lithuania)
2016-04-15
Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties (i.e., usual magnetic moments) to be of sufficiently high quality, too. (orig.)
First observation of $^{13}$Li ground state
Kohley, Z; DeYoung, P A; Volya, A; Baumann, T; Bazin, D; Christian, G; Cooper, N L; Frank, N; Gade, A; Hall, C; Hinnefeld, J; Luther, B; Mosby, S; Peters, W A; Smith, J K; Snyder, J; Spyrou, A; Thoennessen, M
2013-01-01
The ground state of neutron-rich unbound $^{13}$Li was observed for the first time in a one-proton removal reaction from $^{14}$Be at a beam energy of 53.6 MeV/u. The $^{13}$Li ground state was reconstructed from $^{11}$Li and two neutrons giving a resonance energy of 120$^{+60}_{-80}$ keV. All events involving single and double neutron interactions in the Modular Neutron Array (MoNA) were analyzed, simulated, and fitted self-consistently. The three-body ($^{11}$Li+$n+n$) correlations within Jacobi coordinates showed strong dineutron characteristics. The decay energy spectrum of the intermediate $^{12}$Li system ($^{11}$Li+$n$) was described with an s-wave scattering length of greater than -4 fm, which is a smaller absolute value than reported in a previous measurement.
Magnetic properties of ground-state mesons
Simonis, Vytautas
2016-01-01
Starting with the bag model a method for the study of the magnetic properties (magnetic moments, magnetic dipole transition widths) of ground-state mesons is developed. We calculate the M1 transition moments and use them subsequently to estimate the corresponding decay widths. These are compared with experimental data, where available, and with the results obtained in other approaches. Finally, we give the predictions for the static magnetic moments of all ground-state vector mesons including those containing heavy quarks. We have a good agreement with experimental data for the M1 decay rates of light as well as heavy mesons. Therefore, we expect our predictions for the static magnetic properties (usual magnetic moments) to be of sufficiently high quality, too.
Electronic ground state of Ni$_2^+$
Zamudio-Bayer, V; Bülow, C; Leistner, G; Terasaki, A; Issendorff, B v; Lau, J T
2016-01-01
The $^{4}\\Phi_{9/2}$ ground state of the Ni$_2^+$ diatomic molecular cation is determined experimentally from temperature and magnetic-field-dependent x-ray magnetic circular dichroism spectroscopy in a cryogenic ion trap, where an electronic and rotational temperature of $7.4 \\pm 0.2$ K was achieved by buffer gas cooling of the molecular ion. The contribution of the magnetic dipole term to the x-ray magnetic circular dichroism spin sum rule amounts to $7\\, T_z = 0.17 \\pm 0.06$ $\\mu_B$ per atom, approximately 11 \\% of the spin magnetic moment. We find that, in general, homonuclear diatomic molecular cations of $3d$ transition metals seem to adopt maximum spin magnetic moments in their electronic ground states.
Strangeness in the baryon ground states
Semke, A
2012-01-01
We compute the strangeness content of the baryon ground states based on an analysis of recent lattice simulations of the BMW, PACS, LHPC and HSC groups for the pion-mass dependence of the baryon masses. Our results rely on the relativistic chiral Lagrangian and large-$N_c$ sum rule estimates of the counter terms relevant for the baryon masses at N$^3$LO. A partial summation is implied by the use of physical baryon and meson masses in the one-loop contributions to the baryon self energies. A simultaneous description of the lattice results of the BMW, LHPC, PACS and HSC groups is achieved. We predict the pion- and strangeness sigma terms and the pion-mass dependence of the octet and decuplet ground states at different strange quark masses.
Directory of Open Access Journals (Sweden)
Dori Barnett
2012-06-01
Full Text Available A grounded theory study that examined how practitioners in a county alternative and correctional education setting identify youth with emotional and behavioral difficulties for special education services provides an exemplar for a constructivist approach to grounded theory methodology. Discussion focuses on how a constructivist orientation to grounded theory methodology informed research decisions, shaped the development of the emergent grounded theory, and prompted a way of thinking about data collection and analysis. Implications for future research directions and policy and practice in the field of special and alternative education are discussed.
Rearrangements in ground and excited states
de Mayo, Paul
1980-01-01
Rearrangements in Ground and Excited States, Volume 2 covers essays on the theoretical approach of rearrangements; the rearrangements involving boron; and the molecular rearrangements of organosilicon compounds. The book also includes essays on the polytopal rearrangement at phosphorus; the rearrangement in coordination complexes; and the reversible thermal intramolecular rearrangements of metal carbonyls. Chemists and people involved in the study of rearrangements will find the book invaluable.
Ground states for the fractional Schrodinger equation
Directory of Open Access Journals (Sweden)
Binhua Feng
2013-05-01
Full Text Available In this article, we show the existence of ground state solutions for the nonlinear Schrodinger equation with fractional Laplacian $$ (-Delta ^alpha u+ V(xu =lambda |u|^{p}uquadhbox{in $mathbb{R}^N$ for $alpha in (0,1$}. $$ We use the concentration compactness principle in fractional Sobolev spaces $H^alpha$ for $alpha in (0,1$. Our results generalize the corresponding results in the case $alpha =1$.
Is it really theoretical? A review of sampling in grounded theory studies in nursing journals.
McCrae, Niall; Purssell, Edward
2016-10-01
Grounded theory is a distinct method of qualitative research, where core features are theoretical sampling and constant comparative analysis. However, inconsistent application of these activities has been observed in published studies. This review assessed the use of theoretical sampling in grounded theory studies in nursing journals. An adapted systematic review was conducted. Three leading nursing journals (2010-2014) were searched for studies stating grounded theory as the method. Sampling was assessed using a concise rating tool. A high proportion (86%) of the 134 articles described an iterative process of data collection and analysis. However, half of the studies did not demonstrate theoretical sampling, with many studies declaring or indicating a purposive sampling approach throughout. Specific reporting guidelines for grounded theory studies should be developed to ensure that study reports describe an iterative process of fieldwork and theoretical development. © 2016 John Wiley & Sons Ltd.
Empowerment in School Nursing Practice: A Grounded Theory Approach
Broussard, Lisa
2007-01-01
Professional empowerment is vital to nurses' productivity and job satisfaction. A grounded theory study was conducted to describe the basic social process experienced by school nurses in relation to professional empowerment. Interviews with 10 school nurses led to the development of a situation-specific theory of school nurse empowerment,…
Reconceptualising Moderation in Asynchronous Online Discussions Using Grounded Theory
Vlachopoulos, Panos; Cowan, John
2010-01-01
This article reports a grounded theory study of the moderation of asynchronous online discussions, to explore the processes by which tutors in higher education decide when and how to moderate. It aims to construct a theory of e-moderation based on some key factors which appear to influence e-moderation. It discusses previous research on the…
A Grounded Theory of Counseling Students Who Report Problematic Peers
Parker, Lindy K.; Chang, Catherine Y.; Corthell, Kimere K.; Walsh, Maggie E.; Brack, Greg; Grubbs, Natalie K.
2014-01-01
All counselors, including students, are responsible for intervening when a colleague shows signs of impairment. This grounded theory study investigated experiences of 12 counseling students who reported problematic peers. An emergent theory of the peer reporting process is presented, along with implications for counselor educators and suggestions…
A Grounded Theory of Master's-Level Counselor Research Identity
Jorgensen, Maribeth F.; Duncan, Kelly
2015-01-01
A grounded theory approach was used to examine the research identity of 17 master's-level counseling trainees and practitioners. The emergent theory gave an understanding to sources of variation in the process and outcome of research identity. The authors provide recommendations for counselor educators to use with current and former students.
The study of magnetization of the spin systm in the ground state
Institute of Scientific and Technical Information of China (English)
Jiang Wei; Wang Xi-Kun; Zhao Qiang
2006-01-01
Within the framework of the effective-field theory with self-spin correlations and the differential operator technique,the ground state magnetizations of the biaxial crystal field spin system on the honeycomb lattices have been studied.The influences of the biaxial crystal field on the magnetization in the ground state have been investigated in detail.
Chin, Alex W; Prior, Javier; Huelga, Susana F; Plenio, Martin B
2011-10-14
The sub-Ohmic spin-boson model possesses a quantum phase transition at zero temperature between a localized and a delocalized phase, whose properties have so far only been extracted by numerical approaches. Here we present an extension of the Silbey-Harris variational polaron ansatz which allows us to develop an analytical theory which correctly describes a continuous transition with mean-field exponents for 0
Cluster expansion for ground states of local Hamiltonians
Bastianello, Alvise; Sotiriadis, Spyros
2016-08-01
A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
Ground-state structures of atomic metallic hydrogen.
McMahon, Jeffrey M; Ceperley, David M
2011-04-22
Ab initio random structure searching using density functional theory is used to determine the ground-state structures of atomic metallic hydrogen from 500 GPa to 5 TPa. Including proton zero-point motion within the harmonic approximation, we estimate that molecular hydrogen dissociates into a monatomic body-centered tetragonal structure near 500 GPa (r(s)=1.23) that remains stable to 1 TPa (r(s)=1.11). At higher pressures, hydrogen stabilizes in an …ABCABC… planar structure that is similar to the ground state of lithium, but with a different stacking sequence. With increasing pressure, this structure compresses to the face-centered cubic lattice near 3.5 TPa (r(s)=0.92).
Cluster expansion for ground states of local Hamiltonians
Directory of Open Access Journals (Sweden)
Alvise Bastianello
2016-08-01
Full Text Available A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
The ground state in a spin-one color superconductor
Schmitt, A
2004-01-01
Color superconductors in which quarks of the same flavor form Cooper pairs are investigated. These Cooper pairs carry total spin one. A systematic group-theoretical classification of possible phases in a spin-one color superconductor is presented, revealing parallels and differences to the theory of superfluid $^3$He. General expressions for the gap parameter, the critical temperature, and the pressure are derived and evaluated for several spin-one phases, with special emphasis on the angular structure of the gap equation. It is shown that, in a spin-one color superconductor, the (transverse) A phase is expected to be the ground state. This is in contrast to $^3$He, where the ground state is in the B phase.
Cluster expansion for ground states of local Hamiltonians
Energy Technology Data Exchange (ETDEWEB)
Bastianello, Alvise, E-mail: abastia@sissa.it [SISSA, via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste (Italy); Sotiriadis, Spyros [SISSA, via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste (Italy); Institut de Mathématiques de Marseille (I2M), Aix Marseille Université, CNRS, Centrale Marseille, UMR 7373, 39, rue F. Joliot Curie, 13453, Marseille (France); University of Roma Tre, Department of Mathematics and Physics, L.go S.L. Murialdo 1, 00146 Roma (Italy)
2016-08-15
A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.
Ground state energies from converging and diverging power series expansions
Lisowski, C.; Norris, S.; Pelphrey, R.; Stefanovich, E.; Su, Q.; Grobe, R.
2016-10-01
It is often assumed that bound states of quantum mechanical systems are intrinsically non-perturbative in nature and therefore any power series expansion methods should be inapplicable to predict the energies for attractive potentials. However, if the spatial domain of the Schrödinger Hamiltonian for attractive one-dimensional potentials is confined to a finite length L, the usual Rayleigh-Schrödinger perturbation theory can converge rapidly and is perfectly accurate in the weak-binding region where the ground state's spatial extension is comparable to L. Once the binding strength is so strong that the ground state's extension is less than L, the power expansion becomes divergent, consistent with the expectation that bound states are non-perturbative. However, we propose a new truncated Borel-like summation technique that can recover the bound state energy from the diverging sum. We also show that perturbation theory becomes divergent in the vicinity of an avoided-level crossing. Here the same numerical summation technique can be applied to reproduce the energies from the diverging perturbative sums.
The polaron: Ground state, excited states, and far from equilibrium
Energy Technology Data Exchange (ETDEWEB)
Trugman, S.A. [Los Alamos National Lab., NM (United States). Theory Div.; Bonca, J. [Univ. of Ljubljana (Slovenia)]|[Jozef Stefan Inst., Ljubljana (Slovenia)
1998-12-01
The authors describe a variational approach for solving the Holstein polaron model with dynamical quantum phonons on an infinite lattice. The method is simple, fast, extremely accurate, and gives ground and excited state energies and wavefunctions at any momentum k. The method can also be used to calculate coherent quantum dynamics for inelastic tunneling and for strongly driven polarons far from equilibrium.
Garrity, Geraldine
2013-01-01
In doing a grounded theory study, the researcher does not identify a hypothesis, formulate research questions, or state a specific problem at the beginning of the research. Grounded theory research begins with data collection, minimizing preconceptions about outcomes to the greatest extent possible. I began my research with this attitude of not…
Thermodynamic Ground States of Complex Oxide Heterointerfaces
DEFF Research Database (Denmark)
Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.
2017-01-01
The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...... equilibrium conductivity measurements. We unambiguously identify two distinct classes of oxide heterostructures: For epitaxial perovskite/perovskite heterointerfaces (LaAlO3/SrTiO3, NdGaO3/SrTiO3, and (La,Sr)(Al,Ta)O3/SrTiO3), we find the 2DEG formation being based on charge transfer into the interface...
Superimposed particles in 1D ground states
Energy Technology Data Exchange (ETDEWEB)
Sueto, Andras, E-mail: suto@szfki.hu [Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, PO Box 49, H-1525 Budapest (Hungary)
2011-01-21
For a class of nonnegative, range-1 pair potentials in one-dimensional continuous space we prove that any classical ground state of lower density {>=}1 is a tower-lattice, i.e. a lattice formed by towers of particles the heights of which can differ only by 1, and the lattice constant is 1. The potential may be flat or may have a cusp at the origin; it can be continuous, but its derivative has a jump at 1. The result is valid on finite intervals or rings of integer length and on the whole line.
Isegawa, Miho; Truhlar, Donald G.
2013-04-01
Time-dependent density functional theory (TDDFT) holds great promise for studying photochemistry because of its affordable cost for large systems and for repeated calculations as required for direct dynamics. The chief obstacle is uncertain accuracy. There have been many validation studies, but there are also many formulations, and there have been few studies where several formulations were applied systematically to the same problems. Another issue, when TDDFT is applied with only a single exchange-correlation functional, is that errors in the functional may mask successes or failures of the formulation. Here, to try to sort out some of the issues, we apply eight formulations of adiabatic TDDFT to the first valence excitations of ten molecules with 18 density functionals of diverse types. The formulations examined are linear response from the ground state (LR-TDDFT), linear response from the ground state with the Tamm-Dancoff approximation (TDDFT-TDA), the original collinear spin-flip approximation with the Tamm-Dancoff (TD) approximation (SF1-TDDFT-TDA), the original noncollinear spin-flip approximation with the TDA approximation (SF1-NC-TDDFT-TDA), combined self-consistent-field (SCF) and collinear spin-flip calculations in the original spin-projected form (SF2-TDDFT-TDA) or non-spin-projected (NSF2-TDDFT-TDA), and combined SCF and noncollinear spin-flip calculations (SF2-NC-TDDFT-TDA and NSF2-NC-TDDFT-TDA). Comparing LR-TDDFT to TDDFT-TDA, we observed that the excitation energy is raised by the TDA; this brings the excitation energies underestimated by full linear response closer to experiment, but sometimes it makes the results worse. For ethylene and butadiene, the excitation energies are underestimated by LR-TDDFT, and the error becomes smaller making the TDA. Neither SF1-TDDFT-TDA nor SF2-TDDFT-TDA provides a lower mean unsigned error than LR-TDDFT or TDDFT-TDA. The comparison between collinear and noncollinear kernels shows that the noncollinear kernel
Grounded theory in nursing research: Part 1--Methodology.
McCann, Terence V; Clark, Eileen
2003-01-01
The epistemological underpinnings of grounded theory make it valuable in the study of nursing, which is premised on an interpersonal process between nurses and clients. Further, it is a useful style of research when there is little prior information about a topic. In this article (Part 1), Terence McCann and Eileen Clark outline the key features of this methodology. In the follow-up article (Part 2, McCann and Clark 2003a), a critique is provided of grounded theory and the two main approaches to this methodology. In the final article in the series (Part 3, McCann and Clark 2003b), the authors illustrate how grounded theory can be applied to nursing research with examples from McCann's Australian study (McCann and Baker 2001) of how community mental health nurses promote wellness with clients who are experiencing an early episode of psychotic illness.
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.
Growing Open: The transition from QDA to Grounded Theory
Directory of Open Access Journals (Sweden)
Astrid Gynnild, Ph.D
2006-11-01
Full Text Available Doing a PhD can principally be carried out in three ways; firstly by applying existing theories on new data, secondly by theoretically comparing existing theories and thirdly by generating a new theory. Choice of approach of course depends on awareness and accessibility of alternatives. In essence, most PhD studies are exploratory journeys in a jungle of descriptive methodologies based on very uniform data. In this paper, the author elaborates the exploratory research process that subconsciously, and later consciously, required a shift from the initial QDA approach to grounded theory. The cutting point was discovering the multifaceted implications of the all-is-data dictum in GT.
A Discussion with Prof Kathy Charmaz on Grounded Theory
2015-01-01
Interviewed by Graham R Gibbs at the BPS Qualitative Social Psychology Conference, University of Huddersfield, UK\\ud September 14-16 2013\\ud The discussion focusses on ideas from her book, Constructing Grounded Theory of which a second edition was published in March 2014, a few months after this interview. This second edition elaborates many of the points covered in the discussion.\\ud Charmaz, K (2014) Constructing Grounded Theory. London, Thousand Oaks, New Delhi: SAGE.\\ud http://www.uk.sage...
The making of a grounded theory: after death communication.
Devers, Edie; Robinson, Katherine Morton
2002-04-01
Qualitative research provides understanding of phenomena with a depth and richness that cannot be generated through quantitative approaches. Qualitative methods, however, can often appear difficult, if not confusing. In this article, the authors take the reader through the grounded theory process using Devers's research, Experiencing the Deceased: Reconciling the Extraordinary (1994), a study of after death communication (ADC), to illustrate the use of this particular qualitative method. The authors hope that this article will leave the reader with a better understanding of grounded theory method and stimulate an interest in using it for studying other death-related topics.
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.
Ground state of high-density matter
Copeland, ED; Kolb, Edward W.; Lee, Kimyeong
1988-01-01
It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.
Ground State Properties of Neutron Magic Nuclei
Saxena, G
2016-01-01
A systematic study of the ground state properties of the entire chains of even even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82 and 126 has been carried out using relativistic mean field (rmf) plus Bardeen Cooper Schrieffer (BCS) approach. Our present investigation includes deformation, binding energy, two proton separation energy, single particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using non relativistic approach (Skyrme Hartree Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip lines, the (Z,N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.
Maintaining Healthy Behaviors Following Weight Loss: A Grounded Theory Approach
Zunker, Christie; Cox, Tiffany L.; Ard, Jamy D.; Ivankova, Nataliya V.; Rutt, Candace D.; Baskin, Monica L.
2011-01-01
This study explored the process of how women maintained their healthy behaviors after a weight management program using a grounded theory approach. We conducted 2 focus groups and 23 interviews with a purposeful sample of African American and Caucasian women aged 30 and older who lost greater than 5% of their body weight during a weight management…
How Chairpersons Enhance Faculty Research: A Grounded Theory Study.
Creswell, John W.; Brown, Martha L.
1992-01-01
A study examined how department chairpersons enhanced research performance of college and university faculty. By applying grounded theory methods to a corpus of 33 interviews with chairpersons, the study resulted in a typology of chair roles (administrative, advocacy, interpersonal), then assessed the process of assistance for faculty at four…
How Chairpersons Enhance Faculty Research: A Grounded Theory Study.
Creswell, John W.; Brown, Martha L.
1992-01-01
A study examined how department chairpersons enhanced research performance of college and university faculty. By applying grounded theory methods to a corpus of 33 interviews with chairpersons, the study resulted in a typology of chair roles (administrative, advocacy, interpersonal), then assessed the process of assistance for faculty at four…
Educational Administrative Inservice Training: An Outline of a Grounded Theory.
Krysinski, Patricia R.
This outline of a grounded theory of educational administrative inservice training demonstrates the organizational characteristics and outcomes for participants as the results of a qualitative study. Focusing on high school principals, this study addresses two questions: What are the organizational characteristics of inservice training for school…
A Grounded Theory Study of Supervision of Preservice Consultation Training
Newman, Daniel S.
2012-01-01
The purpose of this study was to explore a university-based supervision process for consultants-in-training (CITs) engaged in a preservice level consultation course with applied practicum experience. The study was approached from a constructivist worldview using a grounded theory methodology. Data consisted of supervision session transcripts,…
University Students' Experiences of Nonmarital Breakups: A Grounded Theory
Hebert, Sarah; Popadiuk, Natalee
2008-01-01
Prior nonmarital breakup research has been focused on negative outcomes, rarely examining the personal growth aspects of this experience. In this study, we used a qualitative grounded theory methodology to explore the changes that university students reported experiencing as a result of a heterosexual nonmarital breakup and how those changes…
Reflecting on E-Recruiting Research Using Grounded Theory
Wolfswinkel, Joost; Furtmüller, Elfi; Wilderom, Celeste
2010-01-01
This paper presents a systematic review of the e-Recruiting literature through a grounded theory lens. The large number of publications and the increasing diversity of publications on e-Recruiting research, as the most studied area within e-HRM (Electronic Human Resource Management), calls for a syn
The Constant Comparative Analysis Method Outside of Grounded Theory
Fram, Sheila M.
2013-01-01
This commentary addresses the gap in the literature regarding discussion of the legitimate use of Constant Comparative Analysis Method (CCA) outside of Grounded Theory. The purpose is to show the strength of using CCA to maintain the emic perspective and how theoretical frameworks can maintain the etic perspective throughout the analysis. My…
Infusing Participants' Voices into Grounded Theory Research: A Poetic Anthology
Kennedy, Brianna L.
2009-01-01
This article augments the author's grounded theory study of student and teacher interactions in alternative education classrooms by presenting poetic transcription as a way to portray the essences and experiences of the participants. The author builds on the experimental writing traditions of other researchers to embrace her own experiences as a…
Ground states of fermionic lattice Hamiltonians with permutation symmetry
Kraus, Christina V.; Lewenstein, Maciej; Cirac, J. Ignacio
2013-08-01
We study the ground states of lattice Hamiltonians that are invariant under permutations, in the limit where the number of lattice sites N→∞. For spin systems, these are product states, a fact that follows directly from the quantum de Finetti theorem. For fermionic systems, however, the problem is very different, since mode operators acting on different sites do not commute, but anticommute. We construct a family of fermionic states, F, from which such ground states can be easily computed. They are characterized by few parameters whose number only depends on M, the number of modes per lattice site. We also give an explicit construction for M=1,2. In the first case, F is contained in the set of Gaussian states, whereas in the second it is not. Inspired by that construction, we build a set of fermionic variational wave functions, and apply it to the Fermi-Hubbard model in two spatial dimensions, obtaining results that go beyond the generalized Hartree-Fock theory.
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.
A Grounded Theory on Helping Behavior and Its Shaping Factors
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A Grounded Theory on Helping Behavior and Its Shaping Factors
2006-06-01
Full Text Available In social psychology, the attribution model of helping behavior suggests that beliefs of the helping target’s responsibility for the need for help evoke affective motivators such as feelings of pity, sympathy, or anger. The affective motivation leads to helping or not helping the target. The current emergent theory is an enhancement of this theory by incorporating other personal and situational variables.Through the use of classic grounded theory, I interviewed 80 participants from different De La Salle Schools in the Philippines. This yielded over 1300 individual incidents that were compared and contrasted to form codes, categories and subcategories. A theory on the decision making process of helping emerged that incorporates the helper’s personal conviction, and rational deliberations of the situation. The desire to help is based on the helper’s rationalemotive beliefs (philosophical ideals and values that nurture helping and the knowledge of the nature of risk/problem and relational-emotive ties (with the one who needs help and with a social group that nurtures helping. The desire to help undergoes a process of rationalpragmatic-deliberations on the appropriateness of the recipients need of help, the cost of helping, the helper’s capability of helping, and the logistics of helping before the actual helping occurs. The theory has implications for current social psychological theories of helping, and the use of classic grounded theory research.
Gamiz-Hernandez, Ana P; Magomedov, Artiom; Hummer, Gerhard; Kaila, Ville R I
2015-02-12
Proton-coupled electron transfer (PCET) processes are elementary chemical reactions involved in a broad range of radical and redox reactions. Elucidating fundamental PCET reaction mechanisms are thus of central importance for chemical and biochemical research. Here we use quantum chemical density functional theory (DFT), time-dependent density functional theory (TDDFT), and the algebraic diagrammatic-construction through second-order (ADC(2)) to study the mechanism, thermodynamic driving force effects, and reaction barriers of both ground state proton transfer (pT) and photoinduced proton-coupled electron transfer (PCET) between nitrosylated phenyl-phenol compounds and hydrogen-bonded t-butylamine as an external base. We show that the obtained reaction barriers for the ground state pT reactions depend linearly on the thermodynamic driving force, with a Brønsted slope of 1 or 0. Photoexcitation leads to a PCET reaction, for which we find that the excited state reaction barrier depends on the thermodynamic driving force with a Brønsted slope of 1/2. To support the mechanistic picture arising from the static potential energy surfaces, we perform additional molecular dynamics simulations on the excited state energy surface, in which we observe a spontaneous PCET between the donor and the acceptor groups. Our findings suggest that a Brønsted analysis may distinguish the ground state pT and excited state PCET processes.
The First-Year University Experience for Sexual Minority Students: A Grounded Theory Exploration
Alessi, Edward J.; Sapiro, Beth; Kahn, Sarilee; Craig, Shelley L.
2017-01-01
This exploratory study used grounded theory to understand the role of minority stress on the first-year experience of lesbian, gay, bisexual, queer, and questioning emerging adults attending a university in the Northeastern part of the United States. Twenty-one lesbian, gay, bisexual, queer, and questioning sophomores participated in focus groups…
The First-Year University Experience for Sexual Minority Students: A Grounded Theory Exploration
Alessi, Edward J.; Sapiro, Beth; Kahn, Sarilee; Craig, Shelley L.
2017-01-01
This exploratory study used grounded theory to understand the role of minority stress on the first-year experience of lesbian, gay, bisexual, queer, and questioning emerging adults attending a university in the Northeastern part of the United States. Twenty-one lesbian, gay, bisexual, queer, and questioning sophomores participated in focus groups…
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.
Review: Günter Mey & Katja Mruck (Eds. (2007. Grounded Theory Reader
Directory of Open Access Journals (Sweden)
Adrian Schmidtke
2009-07-01
Full Text Available The volume was published to mark the 40th anniversary of the publication of "The Discovery of Grounded Theory." The first part describes the emergence and fundamental positions of grounded theory methodology (GTM in methodological and theoretical terms; the second part focuses on research practices. The "Grounded Theory Reader" is an excellent compilation that doesn’t claim to be a standard textbook for newcomers to GTM. Rather, it is a reflection of the state of the art in GTM and enables insights in complex research practices. A basic understanding of GTM is recommended in order to get the most from the book. URN: urn:nbn:de:0114-fqs0903286
Classic Grounded Theory to Analyse Secondary Data: Reality and Reflections
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Lorraine Andrews
2012-06-01
Full Text Available This paper draws on the experiences of two researchers and discusses how they conducted a secondary data analysis using classic grounded theory. The aim of the primary study was to explore first-time parents’ postnatal educational needs. A subset of the data from the primary study (eight transcripts from interviews with fathers was used for the secondary data analysis. The objectives of the secondary data analysis were to identify the challenges of using classic grounded theory with secondary data and to explore whether the re-analysis of primary data using a different methodology would yield a different outcome. Through the process of re-analysis a tentative theory emerged on ‘developing competency as a father’. Challenges encountered during this re-analysis included the small dataset, the pre-framed data, and limited ability for theoretical sampling. This re-analysis proved to be a very useful learning tool for author 1(LA, who was a novice with classic grounded theory.
Theoretical study on thermal decomposition of azoisobutyronitrile in ground state
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SUN Chengke; ZHAO Hongmei; LI Zonghe
2004-01-01
The thermal decomposition mechanisms of azoisobutyronitrile (AIBN) in the ground state have been investigated systematically. Based on the potential energy surfaces (PES) of various possible dissociation paths obtained using the semiempirical AM1 method with partial optimization, the density function theory B3LYP/6-311G* method was employed to optimize the geometric parameters of the reactants, the intermediates, the products and the transition states,which were further confirmed by the vibrational analysis. The obtained results show that the reaction process of the two-bond (three-body) simultaneous cleavage Me2(CN)C-N=Nleading to the reaction proceeding in the former pathway. The calculation results were consistent with all the experimental facts.
Grounded Theory in studies on health of the elderly: integrative review
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Karina Oliveira de Mesquita
2015-12-01
Full Text Available : It is an integrative literature review in order to analyze national scientific production on the health of the elderly who used the Grounded Theory (DFT or Grounded Theory. We conducted a search in the Virtual Library databases Health considering all publications until March 2015. The search resulted in the selection of 11 articles by keywords: Grounded Theory and Aging Health. A Grounded Theory has contributed in the development of theories and meanings of experiences.
Newly-graduated midwives transcending barriers: a grounded theory study.
Barry, Michele J; Hauck, Yvonne L; O'Donoghue, Thomas; Clarke, Simon
2013-12-01
Midwifery has developed its own philosophy to formalise its unique identity as a profession. Newly-graduated midwives are taught, and ideally embrace, this philosophy during their education. However, embarking in their career within a predominantly institutionalised and the medically focused health-care model may challenge this application. The research question guiding this study was as follows: 'How do newly graduated midwives deal with applying the philosophy of midwifery in their first six months of practice?' The aim was to generate a grounded theory around this social process. This Western Australian grounded theory study is conceptualised within the social theory of symbolic interactionism. Data were collected by means of in-depth, semi-structured interviews with 11 recent midwifery graduates. Participant and interviewer's journals provided supplementary data. The 'constant comparison' approach was used for data analysis. The substantive theory of transcending barriers was generated. Three stages in transcending barriers were identified: Addressing personal attributes, Understanding the 'bigger picture', and finally, 'Evaluating, planning and acting' to provide woman-centred care. An overview of these three stages provides the focus of this article. The theory of transcending barriers provides a new perspective on how newly-graduated midwives deal with applying the philosophy of midwifery in their first six months of practice. A number of implications for pre and post registration midwifery education and policy development are suggested, as well as recommendations for future research. Copyright © 2013 Elsevier Ltd. All rights reserved.
Grounded theory for radiotherapy practitioners: Informing clinical practice
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Walsh, N.A., E-mail: Nadia.Walsh@gstt.nhs.u [Medical Physics Department, Guy' s and St Thomas' NHS Foundation Trust, St Thomas' Hospital, London SE1 7EH (United Kingdom)
2010-08-15
Radiotherapy practitioners may be best placed to undertake qualitative research within the context of cancer, due to specialist knowledge of radiation treatment and sensitivity to radiotherapy patient's needs. The grounded theory approach to data collection and analysis is a unique method of identifying a theory directly based on data collected within a clinical context. Research for radiotherapy practitioners is integral to role expansion within the government's directive for evidence-based practice. Due to the paucity of information on qualitative research undertaken by radiotherapy radiographers, this article aims to assess the potential impact of qualitative research on radiotherapy patient and service outcomes.
Extended Ho\\v{r}ava Gravity with Physical Ground-State Wavefunction
Shu, Fu-Wen
2010-01-01
We propose a new extended theory of Ho\\v{r}ava gravity based on the following three conditions: (i) UV completion, (ii) healthy IR behavior and (iii) a stable vacuum state in quantized version of the theory. Compared with other extended theories, we stress that any realistic theory of gravity must have physical ground states when quantization is performed. To fulfill the three conditions, we softly break the detailed balance but keep its basic structure unchanged. It turns out that the new model constructed in this way can avoid the strong coupling problem and remains power-counting renormalizable, moreover, it has a stable vacuum state by an appropriate choice of parameters.
Space Theory and Strategy: War From the High Ground Down
2016-06-01
Strategy is the “art of creating power.”30 Strategy constantly adjusts to current realities generating advantageous options.31 Thus, it makes sense to...SPACE THEORY AND STRATEGY: WAR FROM THE HIGH GROUND DOWN BY ANGELO FERNANDEZ A THESIS PRESENTED TO THE FACULTY OF THE SCHOOL...you find a way to make me laugh. Thank you for the memories and I can not wait to make more. vi ABSTRACT This thesis provides a
Expectation values of single-particle operators in the random phase approximation ground state.
Kosov, D S
2017-02-07
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived a practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calculation of molecular dipole moments for a set of representative molecules.
Expectation values of single-particle operators in the random phase approximation ground state
Kosov, D. S.
2017-02-01
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived a practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calculation of molecular dipole moments for a set of representative molecules.
Staying theoretically sensitive when conducting grounded theory research.
Reay, Gudrun; Bouchal, Shelley Raffin; A Rankin, James
2016-09-01
Background Grounded theory (GT) is founded on the premise that underlying social patterns can be discovered and conceptualised into theories. The method and need for theoretical sensitivity are best understood in the historical context in which GT was developed. Theoretical sensitivity entails entering the field with no preconceptions, so as to remain open to the data and the emerging theory. Investigators also read literature from other fields to understand various ways to construct theories. Aim To explore the concept of theoretical sensitivity from a classical GT perspective, and discuss the ontological and epistemological foundations of GT. Discussion Difficulties in remaining theoretically sensitive throughout research are discussed and illustrated with examples. Emergence - the idea that theory and substance will emerge from the process of comparing data - and staying open to the data are emphasised. Conclusion Understanding theoretical sensitivity as an underlying guiding principle of GT helps the researcher make sense of important concepts, such as delaying the literature review, emergence and the constant comparative method (simultaneous collection, coding and analysis of data). Implications for practice Theoretical sensitivity and adherence to the GT research method allow researchers to discover theories that can bridge the gap between theory and practice.
Health as expanding consciousness: a nursing perspective for grounded theory research.
Brown, Janet Witucki
2011-07-01
Margaret Newman's theory of health as expanding consciousness provides an excellent nursing perspective for nursing grounded theory research studies. Application of this nursing theory to grounded theory research provides a unitary-transformative paradigm perspective to the sociological underpinnings of grounded theory methodology. The fit between this particular nursing theory and grounded theory methodology is apparent when purpose, timing, process, and health outcomes of the two are compared. In this column, the theory of health as expanding consciousness is described and the theory's research as praxis methodology is compared to grounded theory methodology. This is followed by a description of how the theory of health as expanding consciousness can be utilized as a perspective for nursing grounded theory research.
A Grounded Theory Analysis of Introductory Computer Science Pedagogy
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Jonathan Wellons
2011-12-01
Full Text Available Planning is a critical, early step on the path to successful program writing and a skill that is often lacking in novice programmers. As practitioners we are continually searching for or creating interventions to help our students, particularly those who struggle in the early stages of their computer science education. In this paper we report on our ongoing research of novice programming skills that utilizes the qualitative research method of grounded theory to develop theories and inform the construction of these interventions. We describe how grounded theory, a popular research method in the social sciences since the 1960’s, can lend formality and structure to the common practice of simply asking students what they did and why they did it. Further, we aim to inform the reader not only about our emerging theories on interventions for planning but also how they might collect and analyze their own data in this and other areas that trouble novice programmers. In this way those who lecture and design CS1 interventions can do so from a more informed perspective.
E2 transitions between excited single-phonon states: Role of ground-state correlations
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Kamerdzhiev, S. P. [National Research Centre Kurchatov Institute (Russian Federation); Voitenkov, D. A., E-mail: dvoytenkov@ippe.ru [Institute for Physics and Power Engineering (Russian Federation)
2016-11-15
The probabilities for E2 transitions between low-lying excited 3{sup −} and 5{sup −} single-phonon states in the {sup 208}Pb and {sup 132}Sn magic nuclei are estimated on the basis of the theory of finite Fermi systems. The approach used involves a new type of ground-state correlations, that which originates from integration of three (rather than two, as in the random-phase approximation) single-particle Green’s functions. These correlations are shown to make a significant contribution to the probabilities for the aforementioned transitions.
Becoming Selfless: A Grounded Theory of Commitment to Service
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Roland Nino L. Agoncillo
2014-05-01
Full Text Available This study focuses on the substantive area of commitment to service in the community of educational partners in the Philippines. Educational partners are lay people who assist religious organizations in the field of education, and in the Philippines, about 96 percent of educational partners are in Lasallian schools and organizations. Educational partners are young professionals, volunteers between the ages of 24-39 who strive to live the teachings of St. John Baptist De La Salle. The volunteers aim to generate a spirit of service, a sense of mission to the youth. By using a classic Grounded Theory approach, the theory of becoming selfless was generated. The theory explains the stages educational partners undergo when resolving their organizational commitment to service. Organizational commitment is the psychological attachment, involvement and identification of the individual to the organization. Becoming selfless provides a theoretical focal point to better understand the complexity of commitment.
Au42: A possible ground-state noble metallic nanotube
Wang, Jing; Ning, Hua; Ma, Qing-Min; Liu, Ying; Li, You-Cheng
2008-10-01
A large hollow tubelike Au42 is predicted as a new ground-state configuration based on the scalar relativistic density functional theory. The shape of this new Au42 cluster is similar to a (5,5) single-wall gold nanotube, the two ends of which are capped by half of a fullerenelike Au32. In the same way, a series of Aun (n =37,42,47,52,57,62,67,72,…, Δn =5) tubelike structures has been constructed. The highest occupied molecular orbital-lowest unoccupied molecular orbital gaps suggested a significant semiconductor-conductor alternation in n ɛ[32,47]. Similar to the predictions and speculation of Daedalus [D. E. H. Jones, New Sci. 32, 245 (1966); E. Osawa, Superaromaticity (Kagaku, Kyoto, 1970), Vol. 25, pp. 854-863; Z. Yoshida and E. Osawa, Aromaticity Chemical Monograph (Kagaku Dojin, Kyoto, Japan, 1971), Vol. 22, pp. 174-176; D. A. Bochvar and E. G. Gal'pern, Dokl. Akad. Nauk SSSR 209, 610 (1973)], here a large hollow ground-state gold nanotube was predicted theoretically.
Ground-state correlations within a nonperturbative approach
De Gregorio, G.; Herko, J.; Knapp, F.; Lo Iudice, N.; Veselý, P.
2017-02-01
The contribution of the two-phonon configurations to the ground state of 4He and 16O is evaluated nonperturbatively using a Hartree-Fock basis within an equation-of-motion phonon method using a nucleon-nucleon optimized chiral potential. Convergence properties of energies and root-mean-square radii versus the harmonic oscillator frequency and space dimensions are investigated. The comparison with the second-order perturbation theory calculations shows that the higher-order terms have an appreciable repulsive effect and yield too-small binding energies and nuclear radii. It is argued that four-phonon configurations, through their strong coupling to two phonons, may provide most of the attractive contribution necessary for filling the gap between theoretical and experimental quantities. Possible strategies for accomplishing such a challenging task are discussed.
Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance
Li, Zhaokai; Chen, Hongwei; Lu, Dawei; Whitfield, James D; Peng, Xinhua; Aspuru-Guzik, Alán; Du, Jiangfeng
2011-01-01
Quantum ground-state problems are computationally hard problems; for general many-body Hamiltonians, there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating the ground state is available, as often happens for many problems in physics and chemistry, a quantum computer could employ this trial wavefunction to project the ground state by means of the phase estimation algorithm (PEA). We performed an experimental realization of this idea by implementing a variational-wavefunction approach to solve the ground-state problem of the Heisenberg spin model with an NMR quantum simulator. Our iterative phase estimation procedure yields a high accuracy for the eigenenergies (to the 10^-5 decimal digit). The ground-state fidelity was distilled to be more than 80%, and the singlet-to-triplet switching near the critical field is reliably captured. This result shows that quantum simulators can better leverage classical trial wavefunctions than c...
Taking-On: A Grounded Theory of Addressing Barriers in Task Completion
Austinson, Julie Ann
2011-01-01
This study of taking-on was conducted using classical grounded theory methodology (Glaser, 1978, 1992, 1998, 2001, 2005; Glaser & Strauss, 1967). Classical grounded theory is inductive, empirical, and naturalistic; it does not utilize manipulation or constrained time frames. Classical grounded theory is a systemic research method used to generate…
Anthropic-principle arguments against steady-state cosmological theories
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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.
PENGALAMAN MAHASISWA DALAM MELAKUKAN WIRAUSAHA INFORMASI: SEBUAH PENELITIAN GROUNDED THEORY
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Afdini Rihlatul Mahmudah
2016-11-01
Full Text Available The main focus of this paper is to explore students’ understanding of information entrepreneurship. This is a qualitative study using grounded theory. Selection of the method is based on research conducted purpose, namely to build a theory based on the views of respondents. The steps taken to obtain the data are interviews, observation, and document review. The data is analyzed based on data analysis model constructivism form of transcription of data and interpretation of data through open coding, axial coding, and selective coding. Because that’s grounded theory meant to know in depth understanding of information entrepreneurship is mainly done by the students. The study also covers entrepreneurship and entrepreneurial activity information extracted information from the perspective of students. The conclusion of this study is an entrepreneur information definition. That defi nition is work in the fi eld of information that can be done independently or in groups, with flexibility in the time and place of the work, in the form of search activity information, creating web and library systems, consulting libraries, teachers, and librarians to make money, add experience and knowledge, as well as develop social activities.
Use of empathy in psychiatric practice: constructivist grounded theory study
Watling, Chris
2017-01-01
Background Psychiatry has faced significant criticism for overreliance on the Diagnostic and Statistical Manual of Mental Disorders (DSM) and medications with purported disregard for empathetic, humanistic interventions. Aims To develop an empirically based qualitative theory explaining how psychiatrists use empathy in day-to-day practice, to inform practice and teaching approaches. Method This study used constructivist grounded theory methodology to ask (a) ‘How do psychiatrists understand and use empathetic engagement in the day-to-day practice of psychiatry?’ and (b) ‘How do psychiatrists learn and teach the skills of empathetic engagement?’ The authors interviewed 17 academic psychiatrists and 4 residents and developed a theory by iterative coding of the collected data. Results This constructivist grounded theory of empathetic engagement in psychiatric practice considered three major elements: relational empathy, transactional empathy and instrumental empathy. As one moves from relational empathy through transactional empathy to instrumental empathy, the actions of the psychiatrist become more deliberate and interventional. Conclusions Participants were described by empathy-based interventions which are presented in a theory of ’empathetic engagement’. This is in contrast to a paradigm that sees psychiatry as purely based on neurobiological interventions, with psychotherapy and interpersonal interventions as completely separate activities from day-to-day psychiatric practice. Declaration of interest None. Copyright and usage © The Royal College of Psychiatrists 2017. This is an open access article distributed under the terms of the Creative Commons Non-Commercial, No Derivatives (CC BY-NC-ND) license. PMID:28243463
The significant role of covalency in determining the ground state of cobalt phthalocyanines molecule
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Jing Zhou
2016-03-01
Full Text Available To shed some light on the metal 3d ground state configuration of cobalt phthalocyanines system, so far in debate, we present an investigation by X-ray absorption spectroscopy (XAS at Co L2,3 edge and theoretical calculation. The density functional theory calculations reveal highly anisotropic covalent bond between central cobalt ion and nitrogen ligands, with the dominant σ donor accompanied by weak π-back acceptor interaction. Our combined experimental and theoretical study on the Co-L2,3 XAS spectra demonstrate a robust ground state of 2A1g symmetry that is built from 73% 3d7 character and 27% 3 d 8 L ¯ ( L ¯ denotes a ligand hole components, as the first excited-state with 2Eg symmetry lies about 158 meV higher in energy. The effect of anisotropic and isotropic covalency on the ground state was also calculated and the results indicate that the ground state with 2A1g symmetry is robust in a large range of anisotropic covalent strength while a transition of ground state from 2A1g to 2Eg configuration when isotropic covalent strength increases to a certain extent. Here, we address a significant anisotropic covalent effect of short Co(II-N bond on the ground state and suggest that it should be taken into account in determining the ground state of analogous cobalt complexes.
Book Review: Glaser, B.G. (2007. Doing Formal Grounded Theory: A Proposal
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Alvita K. Nathaniel, PhD, APRN, BC
2007-06-01
Full Text Available Forty years after developing the classic grounded theory method with Anselm Strauss, Barney Glaser has published the long-anticipated follow-up monograph that details the method for generating formal grounded theory. Through the years, Glaser continued writing about substantive grounded theory, but formal grounded theory remained in the background, lacking a clear definition and distinctive method. Although his previous monographs offer hints about formal grounded theory, this is the first definitive guide for researcher-theorists. It is Glaser’s aim that this monograph will provide the inspiration and direction needed by researcher-theorists who will then generate formal grounded theory. The intended audience for this book is grounded theorists who have previous experience developing substantive grounded theories.
Expectation values of single-particle operators in the random phase approximation ground state
Kosov, Daniel S
2016-01-01
We developed a method for computing matrix elements of single-particle operators in the correlated random phase approximation ground state. Working with the explicit random phase approximation ground state wavefunction, we derived practically useful and simple expression for a molecular property in terms of random phase approximation amplitudes. The theory is illustrated by the calculation of molecular dipole moments. It is shown that Hartree-Fock based random phase approximation provides a systematic improvement of molecular dipole moment values in comparison to M{\\o}ller-Plesset second order perturbation theory and coupled cluster method for a considered set of molecules.
Boundedness and convergence of perturbed corrections for helium-like ions in ground states
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Zhao Yun-Hui; Hai Wen-Hua; Zhao Cheng-Lin; Luo Xiao-Bing
2008-01-01
Applying the improved Rayleigh-Schr(o)dinger perturbation theory based on an integral equation to helium-like ions in ground states and treating electron correlations as perturbations,we obtain the second-order corrections to wavefunctions consisting of a few terms and the third-order corrections to energicity.It is demonstrated that the corrected wavefunctions are bounded and quadratically integrable,and the corresponding perturbation series is convergent.The results clear off the previous distrust for the convergence in the quantum perturbation theory and show a reciprocal development on the quantum perturbation problem of the ground state helium-like systems.
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E.Javadimanesh; H.Hassanabadi; A.A.Rajabi; H.Rahimov; S.Zarrinkamar
2012-01-01
We study the half-lives of some nuclei via the alpha-decay process from ground state to ground state. To go through the problem, we have considered a potential model with Yukawa proximity potential and have thereby calculated the half-lives. The comparison with the existing data is motivating.
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Chiara Faggiolani
2011-06-01
Full Text Available L'applicazione della Grounded Theory alle indagini finalizzate ad approfondire l'identità della biblioteca percepita dagli utenti è illustrata attraverso uno studio su quattro biblioteche del sistema bibliotecario comunale di Perugia. Inaugurata alla fine degli anni Sessanta, è una metodologia di ricerca sociale e un insieme di procedure capaci di generare sistematicamente una teoria fondata sui dati. È uno dei metodi interpretativi che mirano a descrivere i significati attribuiti ai fenomeni in esame, risultando particolarmente adatta all’esplorazione dei processi sociali e psicologici sottostanti. I dati passano attraverso le tre fasi di codifica - aperta, assiale, selettiva - e sono spesso elaborati con CAQDAS (Computer Aided Qualitative Data Analysis Software. In biblioteca, la metodologia GT è fondamentale per la piena comprensione dello "scarto" rappresentato da ciò che viene realmente fatto dal bibliotecario e ciò che viene percepito dall'utente. La ricerca nelle biblioteche perugine, condotta attraverso focus group e interviste semi-strutturate, ha portato in primo luogo alla consapevolezza che il concetto che l'utente ha della biblioteca è legato più al "luogo" e allo "spazio" piuttosto che al "servizio". Inoltre, le esigenze riscontrate durante la ricerca riguardano primariamente i campi che si occupano del coinvolgimento dell'utente, del rapporto della biblioteca con la scuola, dell'innovazione, della promozione di collezioni a scaffale aperto, della vivacità culturale, e degli aspetti logistico-architettonici.
This article presents a reflection on the application of Grounded Theory methodology in a study which aims at understanding how the identity of libraries is perceived by users. The Grounded Theory, elaborated in the sixties by the sociologists, Barney G. Glaser and Anselm L. Strauss, and widely applied today in empirical research in varied disciplines, is a methodology of social research and a combination of
Institute of Scientific and Technical Information of China (English)
姜伟; 魏国柱; 杜安; 张起
2002-01-01
The properties of the ground state in the spin-2 transverse Ising model with the presence of a crystal field arestudied by using the effective-field theory with correlations. The longitudinal and transverse magnetizations, the phasediagram and the internal energy in the ground state are given numerically for a honeycomb lattice (z=3).
Institute of Scientific and Technical Information of China (English)
姜伟; 魏国柱; 等
2002-01-01
The properties of the ground state in the spin-2 transverse Ising model with the presence of a crystal of a crystal field are studied by using the effective-field theory with correlations,The longitudinal and transverse magnetizations,the phase diagram and the internal energy in the ground state are given numerically for a honeycomb lattice(z=3).
Assertiveness process of Iranian nurse leaders: a grounded theory study.
Mahmoudirad, Gholamhossein; Ahmadi, Fazlollah; Vanaki, Zohreh; Hajizadeh, Ebrahim
2009-06-01
The purpose of this study was to explore the assertiveness process in Iranian nursing leaders. A qualitative design based on the grounded theory approach was used to collect and analyze the assertiveness experiences of 12 nurse managers working in four hospitals in Iran. Purposeful and theoretical sampling methods were employed for the data collection and selection of the participants, and semistructured interviews were held. During the data analysis, 17 categories emerged and these were categorized into three themes: "task generation", "assertiveness behavior", and "executive agents". From the participants' experiences, assertiveness theory emerged as being fundamental to the development of a schematic model describing nursing leadership behaviors. From another aspect, religious beliefs also played a fundamental role in Iranian nursing leadership assertiveness. It was concluded that bringing a change in the current support from top managers and improving self-learning are required in order to enhance the assertiveness of the nursing leaders in Iran.
Research report: a grounded theory description of pastoral counseling.
Townsend, Loren L
2011-01-01
Historically, clerical paradigms of ordained ministry have defined pastoral counseling. However, these fail to describe pastoral counselors in the complex social, theological and medical contexts in which they now work. This study asks the question: How do pastoral counselors in clinical practice describe what is uniquely "pastoral" about the counseling they offer clients? Grounded theory was used to propose a preliminary description and an intermediate theory of how pastoral counselors interpret "pastoral." Eighty-five pastoral counselors were selected for the study over a four year period using criteria to assure maximum variation. Interviews and pastoral identity statements were collected and coded, and theoretical models were organized using NVIVO, a computer assisted qualitative design and analysis software (CAQDAS) package. Results suggest that pastoral counselors share some common ideas regarding "pastoral identity" and clinical practice. How pastoral counselors interpret "pastoral" is highly context sensitive and varies widely.
Marshaling Resources: A Classic Grounded Theory Study of Online Learners
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Barbara Yalof
2014-06-01
Full Text Available Classic grounded theory (CGT was used to identify a main concern of online students in higher education. One of the main impediments to studying online is a sense of isolation and lack of access to support systems as students navigate through complex requirements of their online programs. Hypothetical probability statements illustrate the imbalance between heightened needs of virtual learners and perceived inadequate support provided by educational institutions. The core variable, marshaling resources, explains how peer supports sustain motivation toward successful program completion. Understanding the critical contribution virtual interpersonal networks make towards maximizing resources by group problem solving is a significant aspect of this theory. Keywords: Online learning, e-learning, personal learning networks, peer networks
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Jayson Seaman PhD
2008-03-01
Full Text Available Grounded theory has long been regarded as a valuable way to conduct social and educational research. However, recent constructivist and postmodern insights are challenging long-standing assumptions, most notably by suggesting that grounded theory can be flexibly integrated with existing theories. This move hinges on repositioning grounded theory from a methodology with positivist underpinnings to an approach that can be used within different theoretical frameworks. In this article the author reviews this recent transformation of grounded theory, engages in the project of repositioning it as an approach by using cultural historical activity theory as a test case, and outlines several practical methods implied by the joint use of grounded theory as an approach and activity theory as a methodology. One implication is the adoption of a dialectic, as opposed to a constructivist or objectivist, stance toward grounded theory inquiry, a stance that helps move past the problem of emergence versus forcing.
Bott periodicity for Z2 symmetric ground states of gapped free-fermion systems
Kennedy, Ricardo
2014-01-01
Building on the symmetry classification of disordered fermions, we give a proof of the proposal by Kitaev, and others, for a "Bott clock" topological classification of free-fermion ground states of gapped systems with symmetries. Our approach differs from previous ones in that (i) we work in the standard framework of Hermitian quantum mechanics over the complex numbers, (ii) we directly formulate a mathematical model for ground states rather than spectrally flattened Hamiltonians, and (iii) we use homotopy-theoretic tools rather than K-theory. Key to our proof is a natural transformation that squares to the standard Bott map and relates the ground state of a d-dimensional system in symmetry class s to the ground state of a (d+1)-dimensional system in symmetry class s+1. This relation gives a new vantage point on topological insulators and superconductors.
A Brush with Research: Teaching Grounded Theory in the Art and Design Classroom
Compton, Mike; Barrett, Sean
2016-01-01
Grounded Theory is a systematic approach to social research that allows for new concepts and theories to emerge from gathered data, as opposed to relying on either established theory or personal conjecture to interpret social processes. Although Grounded Theory is a well-known method within social science literature, it is relatively unknown in…
Examining Philosophy of Technology Using Grounded Theory Methods
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Mark David Webster
2016-03-01
Full Text Available A qualitative study was conducted to examine the philosophy of technology of K-12 technology leaders, and explore the influence of their thinking on technology decision making. The research design aligned with CORBIN and STRAUSS grounded theory methods, and I proceeded from a research paradigm of critical realism. The subjects were school technology directors and instructional technology specialists, and data collection consisted of interviews and a written questionnaire. Data analysis involved the use of grounded theory methods including memo writing, open and axial coding, constant comparison, the use of purposive and theoretical sampling, and theoretical saturation of categories. Three broad philosophy of technology views were widely held by participants: an instrumental view of technology, technological optimism, and a technological determinist perspective that saw technological change as inevitable. Technology leaders were guided by two main approaches to technology decision making, represented by the categories Educational goals and curriculum should drive technology, and Keep up with technology (or be left behind. The core category and central phenomenon that emerged was that technology leaders approached technology leadership by placing greater emphasis on keeping up with technology, being influenced by an ideological orientation to technological change, and being concerned about preparing students for a technological future. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs160252
A grounded theory of abstraction in artificial intelligence.
Zucker, Jean-Daniel
2003-07-29
In artificial intelligence, abstraction is commonly used to account for the use of various levels of details in a given representation language or the ability to change from one level to another while preserving useful properties. Abstraction has been mainly studied in problem solving, theorem proving, knowledge representation (in particular for spatial and temporal reasoning) and machine learning. In such contexts, abstraction is defined as a mapping between formalisms that reduces the computational complexity of the task at stake. By analysing the notion of abstraction from an information quantity point of view, we pinpoint the differences and the complementary role of reformulation and abstraction in any representation change. We contribute to extending the existing semantic theories of abstraction to be grounded on perception, where the notion of information quantity is easier to characterize formally. In the author's view, abstraction is best represented using abstraction operators, as they provide semantics for classifying different abstractions and support the automation of representation changes. The usefulness of a grounded theory of abstraction in the cartography domain is illustrated. Finally, the importance of explicitly representing abstraction for designing more autonomous and adaptive systems is discussed.
Jargonizing: The use of the grounded theory vocabulary
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Barney G. Glaser, Ph.D., Hon. Ph.D.
2009-03-01
Full Text Available When in doubt, jargonize.When you wish to belong, network, be collegial or be ‘a part of’,jargonize.When you want to sound knowledgeable, jargonize.When you wish to sound experienced, jargonize.Jargonizing is normal. All people, all human kind, jargonize in their lives to some degree or other. We use the vocabulary (jargon of the area in which we act and talk. Jargon is a vocabulary of action by which to talk about what is going on. Most fields have their jargon. Few do not. Jargonizing cannot be stopped. It is needed. It can be very meaningful, properly so, for a field. In this book, however, I am writing about jargoning as just words with little or no real meaning, but sounding good and knowledgeable when talking about an area that one knows little or nothing about. In this way, jargonizing continually regenerates the GT (grounded theory vocabulary wrongly as it is being applied to QDA (qualitative data analysis concerns. Grounded theory is the buzzword in academic circles doing QDA research.
Ground state correlations and mean field in 16O
Heisenberg, Jochen H.; Mihaila, Bogdan
1999-03-01
We use the coupled cluster expansion [exp(S) method] to generate the complete ground state correlations due to the NN interaction. Part of this procedure is the calculation of the two-body G matrix inside the nucleus in which it is being used. This formalism is being applied to 16O in a configuration space of 50ħω. The resulting ground state wave function is used to calculate the binding energy and one- and two-body densities for the ground state of 16O.
Ground state correlations and mean-field in $^{16}$O
Heisenberg, J H; Heisenberg, Jochen H.; Mihaila, Bogdan.
1999-01-01
We use the coupled cluster expansion ($\\exp(S)$ method) to generate the complete ground state correlations due to the $NN$ interaction. Part of this procedure is the calculation of the two-body ${\\mathbf G}$ matrix inside the nucleus in which it is being used. This formalism is being applied to $^{16}$O in a configuration space of 35 $\\hbar\\omega$. The resulting ground state wave function is used to calculate the binding energy and one- and two-body densities for the ground state of~$^{16}$O.
Linking Symbolic Interactionism and Grounded Theory Methods in a Research Design
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Jennifer Chamberlain-Salaun
2013-09-01
Full Text Available This article focuses on Corbin and Strauss’ evolved version of grounded theory. In the third edition of their seminal text, Basics of Qualitative Research: Techniques and Procedures for Developing Grounded Theory, the authors present 16 assumptions that underpin their conception of grounded theory methodology. The assumptions stem from a symbolic interactionism perspective of social life, including the themes of meaning, action and interaction, self and perspectives. As research design incorporates both methodology and methods, the authors aim to expose the linkages between the 16 assumptions and essential grounded theory methods, highlighting the application of the latter in light of the former. Analyzing the links between symbolic interactionism and essential grounded theory methods provides novice researchers and researchers new to grounded theory with a foundation from which to design an evolved grounded theory research study.
Classical ground states of symmetric Heisenberg spin systems
Schmidt, H J
2003-01-01
We investigate the ground states of classical Heisenberg spin systems which have point group symmetry. Examples are the regular polygons (spin rings) and the seven quasi-regular polyhedra including the five Platonic solids. For these examples, ground states with special properties, e.g. coplanarity or symmetry, can be completely enumerated using group-theoretical methods. For systems having coplanar (anti-) ground states with vanishing total spin we also calculate the smallest and largest energies of all states having a given total spin S. We find that these extremal energies depend quadratically on S and prove that, under certain assumptions, this happens only for systems with coplanar S = 0 ground states. For general systems the corresponding parabolas represent lower and upper bounds for the energy values. This provides strong support and clarifies the conditions for the so-called rotational band structure hypothesis which has been numerically established for many quantum spin systems.
Charmaz, Kathy
2015-12-01
This article addresses criticisms of qualitative research for spawning studies that lack analytic development and theoretical import. It focuses on teaching initial grounded theory tools while interviewing, coding, and writing memos for the purpose of scaling up the analytic level of students' research and advancing theory construction. Adopting these tools can improve teaching qualitative methods at all levels although doctoral education is emphasized here. What teachers cover in qualitative methods courses matters. The pedagogy presented here requires a supportive environment and relies on demonstration, collective participation, measured tasks, progressive analytic complexity, and accountability. Lessons learned from using initial grounded theory tools are exemplified in a doctoral student's coding and memo-writing excerpts that demonstrate progressive analytic development. The conclusion calls for increasing the number and depth of qualitative methods courses and for creating a cadre of expert qualitative methodologists.
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Karen Wilson Scott PhD
2008-06-01
Full Text Available Although qualitative methods, grounded theory included, cannot be reduced to formulaic procedures, research tools can clarify the process. The authors discuss two instruments supporting grounded theory analysis and interpretation using two examples from doctoral students. The conditional relationship guide contextualizes the central phenomenon and relates categories linking structure with process. The reflective coding matrix serves as a bridge to the final phase of grounded theory analysis, selective coding and interpretation, and, ultimately, to substantive theory generation.
Ground state energy of the modified Nambu-Goto string
Hadasz, L
1998-01-01
We calculate, using zeta function regularization method, semiclassical energy of the Nambu-Goto string supplemented with the boundary, Gauss-Bonnet term in the action and discuss the tachyonic ground state problem.
Arsenic in Ground Water of the United States - Direct Download
U.S. Geological Survey, Department of the Interior — This image shows national-scale patterns of naturally occurring arsenic in potable ground-water resources of the continental United States. The image was generated...
ON GROUND STATE SOLUTIONS FOR SUPERLINEAR DIRAC EQUATION
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张建; 唐先华; 张文
2014-01-01
This article is concerned with the nonlinear Dirac equations Under suitable assumptions on the nonlinearity, we establish the existence of ground state solutions by the generalized Nehari manifold method developed recently by Szulkin and Weth.
Entanglement of two ground state neutral atoms using Rydberg blockade
DEFF Research Database (Denmark)
Miroshnychenko, Yevhen; Browaeys, Antoine; Evellin, Charles
2011-01-01
We report on our recent progress in trapping and manipulation of internal states of single neutral rubidium atoms in optical tweezers. We demonstrate the creation of an entangled state between two ground state atoms trapped in separate tweezers using the effect of Rydberg blockade. The quality of...
Borromean ground state of fermions in two dimensions
DEFF Research Database (Denmark)
G. Volosniev, A.; V. Fedorov, D.; S. Jensen, A.;
2014-01-01
-body threshold. They are the lowest in a possible sequence of so-called super-Efimov states. While the observation of the super-Efimov scaling could be very difficult, the borromean ground state should be observable in cold atomic gases and could be the basis for producing a quantum gas of three-body states...
Quasiparticle Random Phase Approximation with an optimal Ground State
Simkovic, F; Raduta, A A
2001-01-01
A new Quasiparticle Random Phase Approximation approach is presented. The corresponding ground state is variationally determined and exhibits a minimum energy. New solutions for the ground state, some with spontaneously broken symmetry, of a solvable Hamiltonian are found. A non-iterative procedure to solve the non-linear QRPA equations is used and thus all possible solutions are found. These are compared with the exact results as well as with the solutions provided by other approaches.
Ground states for a modified capillary surface equation in weighted Orlicz-Sobolev space
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Guoqing Zhang
2015-03-01
Full Text Available In this article, we prove a compact embedding theorem for the weighted Orlicz-Sobolev space of radially symmetric functions. Using the embedding theorem and critical points theory, we prove the existence of multiple radial solutions and radial ground states for the following modified capillary surface equation $$\\displaylines{ -\\operatorname{div}\\Big(\\frac{|\
Theoretical study of the ground state of (EDO-TTF)(2)PF6
Linker, Gerrit-Jan; van Duijnen, Piet Th.; van Loosdrecht, Paul H.M.; Broer, Ria
2015-01-01
In this paper we present a theoretical study of the nature of the ground state of the (EDO-TTF)(2)PF6 charge transfer salt by using ab initio quantum chemical theory for clusters in vacuum, for embedded clusters and for the periodic system. Exemplary for other organic charge transfer systems, we sho
Ab initio organic chemistry : a survey of ground- and excited states and aromaticity
Havenith, R.W.A.
2001-01-01
This thesis describes the application of quantum mechanical methods on organic chemistry. The ground- and excited states of functionalized oligo(cyclohexylidenes) have been explored as in function of chain length, conformation and substitution. VB theory has been used to study the effect of cyc
Structure and analytical potential energy function for the ground state of the BCx (x=0, -1)
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Geng Zhen-Duo; Zhang Yan-Song; Fan Xiao-Wei; Lu Zhan-Sheng; Luo Gai-Xia
2006-01-01
In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data (αe, ωe and ωeXe) of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.
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.
Are There Two Methods of Grounded Theory? Demystifying the Methodological Debate
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Cheri Ann Hernandez, RN, Ph.D., CDE
2008-06-01
Full Text Available Grounded theory is an inductive research method for the generation of substantive or formal theory, using qualitative or quantitative data generated from research interviews, observation, or written sources, or some combination thereof (Glaser & Strauss, 1967. In recent years there has been much controversy over the etiology of its discovery, as well as, the exact way in which grounded theory research is to be operationalized. Unfortunately, this situation has resulted in much confusion, particularly among novice researchers who wish to utilize this research method. In this article, the historical, methodological and philosophical roots of grounded theory are delineated in a beginning effort to demystify this methodological debate. Grounded theory variants such as feminist grounded theory (Wuest, 1995 or constructivist grounded theory (Charmaz, 1990 are beyond the scope of this discussion.
A Grounded Theory of Political Intelligentizing in Business Administration
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Annabel-Mauve Adjognon
2014-12-01
Full Text Available This study focuses on the substantive area of business administration using the classic grounded theory method. Business administration is mostly driven by political games between top-level corporate managers. The main concern of the managers I met was that they wanted to be more politically successful. For them, success meant being able to change regularly the course of decisions and action within their firm. The study led to the emergence of a core variable called political intelligentizing. Political intelligentizing explains the recurrent main concern that these managers have to resolve, and it explains the competences managers have to combine to succeed regularly in organisational politics. They resolve their main problem through political intelligentizing which consists in acquiring, developing and combining six specific skills: time matching, rhetorical fitting, silence juggling, strategic forward-thinking, strategic interacting and relationing.
The Grounded Theory Perspective: Its Origins and Growth
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Barney G. Glaser
2016-06-01
Full Text Available The book is about the origins and growth of grounded theory (GT as developed and written by Barney G. Glaser. It is not written to compete or compare with other QDA methods. The competition with other perspectives is up to the reader to write up, if he so desires. My goal in this paper is to write up the GT perspective clearly and historically to date so it can be used by others in research and the rhetorical wrestle between different perspectives. As GT spreads throughout the world a clear view of the GT perspective is constantly needed and requested from me by researchers for doing GT and for trying to explain the method to others, particularly supervisors and peer reviewers.
Grounded Theory Method: Sociology's Quest for Exclusive Items of Inquiry
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Edward Tolhurst
2012-09-01
Full Text Available The genesis and development of grounded theory method (GTM is evaluated with reference to sociology's attempt to demarcate exclusive referents of inquiry. The links of objectivist GTM to positivistic terminology and to the natural scientific distinction from "common sense" are explored. It is then considered how the biological sciences have prompted reorientation towards constructivist GTM, underpinned by the metaphysics of social constructionism. GTM has been shaped by the endeavor to attain the sense of exactitude associated with positivism, whilst also seeking exclusive referents of inquiry that are distinct from the empirical realm of the natural sciences. This has generated complex research techniques underpinned by tortuous methodological debate: eschewing the perceived requirement to define and defend an academic niche could help to facilitate the development of a more useful and pragmatic orientation to qualitative social research. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs1203261
Becoming an Older Volunteer: A Grounded Theory Study
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Janet Witucki Brown
2011-01-01
Full Text Available This Grounded Theory study describes the process by which older persons “become” volunteers. Forty interviews of older persons who volunteered for Habitat for Humanity were subjected to secondary content analysis to uncover the process of “becoming” a volunteer. “Helping out” (core category for older volunteers occurs within the context of “continuity”, “commitment” and “connection” which provide motivation for volunteering. When a need arises, older volunteers “help out” physically and financially as health and resources permit. Benefits described as “blessings” of volunteering become motivators for future volunteering. Findings suggest that older volunteering is a developmental process and learned behavior which should be fostered in older persons by personally inviting them to volunteer. Intergenerational volunteering projects will allow older persons to pass on knowledge and skills and provide positive role modeling for younger volunteers.
Self-criticism in therapist training: A grounded theory analysis.
Kannan, Divya; Levitt, Heidi M
2017-03-01
The primary objective of this study is to engender an understanding of how therapists-in-training experience and cope with self-criticism in the context of their clinical training and therapy experiences. In this study, trainees were interviewed about their experience of self-criticism related to psychotherapy practice and these interviews were subjected to a grounded theory analysis generating a core self-critical process. The analysis highlighted the vulnerability of self-criticism in therapists' training experiences, especially when they related to balancing the "expert" role while maintaining authentic interactions with their clients. The results also described ways in which self-criticism is mitigated by a sense of interpersonal safety and the provision of clinical freedom and flexibility in therapists' training. The implications for future psychotherapy research and clinical training within clinical training environments are discussed.
Toward Triplet Ground State NaLi Molecules
Ebadi, Sepehr; Jamison, Alan; Rvachov, Timur; Jing, Li; Son, Hyungmok; Jiang, Yijun; Zwierlein, Martin; Ketterle, Wolfgang
2016-05-01
The NaLi molecule is expected to have a long lifetime in the triplet ground-state due to its fermionic nature, large rotational constant, and weak spin-orbit coupling. The triplet state has both electric and magnetic dipole moments, affording unique opportunities in quantum simulation and ultracold chemistry. We have mapped the excited state NaLi triplet potential by means of photoassociation spectroscopy. We report on this and our further progress toward the creation of the triplet ground-state molecules using STIRAP. NSF, ARO-MURI, Samsung, NSERC.
A Grounded Theory Approach to Physical Activity and Advanced Cancer
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Sonya S. Lowe
2015-11-01
Full Text Available Background: Physical activity has demonstrated benefits in cancer-related fatigue and physical functioning in early-stage cancer patients, however the role of physical activity at the end stage of cancer has not been established. To challenge positivist–empiricist assumptions, I am seeking to develop a new theoretical framework that is grounded in the advanced cancer patient’s experience of activity. Aim: To gain an in-depth understanding of the experience of activity and quality of life in advanced cancer patients. Objectives: (1 To explore the meaning of activity for advanced cancer patients in the context of their day-to-day life, (2 to elicit advanced cancer patients’ perceptions of activity with respect to their quality of life, and (3 to elicit advanced cancer patients’ views of barriers and facilitators to activity in the context of their day-to-day life. Study Design: A two-phase, cross-sectional, qualitative study will be conducted through the postpositivist lens of subtle realism and informed by the principles of grounded theory methods. Study Methods: Advanced cancer patients will be recruited through the outpatient department of a tertiary cancer center. For Phase one, participants will wear an activPAL™ activity monitor and fill out a daily record sheet for seven days duration. For Phase two, the activity monitor output and daily record sheets will be used as qualitative probes for face-to-face, semistructured interviews. Concurrent coding, constant comparative analysis, and theoretical sampling will continue with the aim of achieving as close as possible to theoretical saturation. Ethics and Discussion: Ethical and scientific approval will be obtained by all local institutional review boards prior to study commencement. The findings will generate new mid-level theory about the experience of activity and quality of life in advanced cancer patients and aid in the development of a new theoretical framework for designing
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.
Directory of Open Access Journals (Sweden)
Naomi Elliott
2012-12-01
Full Text Available Grounded theory research students are frequently faced with the challenge of writing a research proposal and using a theoretical framework as part of the academic requirements for a degree programme. Drawing from personal experiences of two PhD graduates who used classic grounded theory in two different universities, this paper highlights key lessons learnt which may help future students who are setting out to use grounded theory method. It identifies key discussion points that students may find useful when engaging with critical audiences, and defending their grounded theory thesis at final examination. Key discussion points included are: the difference between inductive and deductive inquiry; how grounded theory method of data gathering and analysis provide researchers with a viable means of generating new theory; the primacy of the questions used in data gathering and data analysis; and, the research-theory link as opposed to the theory-research link.
Grounded Theory as a "Family of Methods": A Genealogical Analysis to Guide Research
Babchuk, Wayne A.
2011-01-01
This study traces the evolution of grounded theory from a nuclear to an extended family of methods and considers the implications that decision-making based on informed choices throughout all phases of the research process has for realizing the potential of grounded theory for advancing adult education theory and practice. [This paper was…
Is That a Real Theory or Did You Just Make It Up? Teaching Classic Grounded Theory
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Odis E. Simmons, Ph.D.
2010-06-01
Full Text Available The title of this paper was derived from an incident I observed some years ago while accompanying a highly talented musician-songwriter friend to a performance. During a break, an audience member approached him to compliment the last song he had performed. He had written both the music and the lyrics to the song, one of many he had written. The audience member queried, “Is that a real song, or did you just make it up?” A touch amused, and not knowing whether he should be flattered or insulted, he politely replied, “It is a real song and I made it up.”This episode puts in mind a similar attitude in the social sciences that Glaser and Strauss (1967 noted, in which a small number of ’theoretical capitalists’ originate what are considered to be “real” theories and others are relegated to the role of “proletariat” testers. The means by which these theorists derived their theories remained largely mysterious. Unleashing proletariat testers was one of the chief rationales behind Glaser and Strauss’ development of grounded theory. It brought a democratic option into the social sciences that enabled anyone who learned the methodology to generate theory. The democratic ethos of the methodology may also have inadvertently unleashed an abundance of aspiring remodelers of the methodology, who unfortunately have eroded its primary purpose—to generate theories that are fully grounded in data rather than speculation or ideology.
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.
A taxonomy of dignity: a grounded theory study
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Jacobson Nora
2009-02-01
Full Text Available Abstract Background This paper has its origins in Jonathan Mann's insight that the experience of dignity may explain the reciprocal relationships between health and human rights. It follows his call for a taxonomy of dignity: "a coherent vocabulary and framework to characterize dignity." Methods Grounded theory procedures were use to analyze literature pertaining to dignity and to conduct and analyze 64 semi-structured interviews with persons marginalized by their health or social status, individuals who provide health or social services to these populations, and people working in the field of health and human rights. Results The taxonomy presented identifies two main forms of dignity–human dignity and social dignity–and describes several elements of these forms, including the social processes that violate or promote them, the conditions under which such violations and promotions occur, the objects of violation and promotion, and the consequences of dignity violation. Together, these forms and elements point to a theory of dignity as a quality of individuals and collectives that is constituted through interaction and interpretation and structured by conditions pertaining to actors, relationships, settings, and the broader social order. Conclusion The taxonomy has several implications for work in health and human rights. It suggests a map to possible points of intervention and provides a language in which to talk about dignity.
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Mark Boadu
2015-05-01
Full Text Available Grounded theory is a powerful and rigorous theory building methodology that has attracted considerable interest in business research; however, it is a challenging endeavour especially for novice researchers and in particular at the doctoral level. Although several researchers have attempted to clarify the cannons of various grounded theory approaches, still there is a shortage in guidance for doctoral students who wish to apply grounded theory for their studies. Using an example from a grounded theory business doctoral thesis, this paper provides a guide on the research design and utilisation of the Straussian grounded theory at doctoral level. In doing so, the paper discusses the rationale, features, and benefits of grounded theory. Using an example from corporate governance research, the paper illustrates how the procedures of data analysis (coding, theoretical memoing, and theoretical sampling are applied to systematically generate a grounded theory. Finally, the paper discusses major challenges to utilising grounded theory and how these can be addressed by doctoral researchers. This paper provides a clear and pragmatic exposition that can be useful to guide doctoral researchers who are interested in utilizing the Straussian approach of grounded theory in their studies.
First-principles prediction of a ground state crystal structure of magnesium borohydride.
Ozolins, V; Majzoub, E H; Wolverton, C
2008-04-04
Mg(BH(4))(2) contains a large amount of hydrogen by weight and by volume, but its promise as a candidate for hydrogen storage is dependent on the currently unknown thermodynamics of H2 release. Using first-principles density-functional theory calculations and a newly developed prototype electrostatic ground state search strategy, we predict a new T=0 K ground state of Mg(BH(4))(2) with I4[over ]m2 symmetry, which is 5 kJ/mol lower in energy than the recently proposed P6(1) structure. The calculated thermodynamics of H(2) release are within the range required for reversible storage.
Traces of Lorentz symmetry breaking in a hydrogen atom at ground state
Borges, L. H. C.; Barone, F. A.
2016-02-01
Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.
Stability of the electroweak ground state in the Standard Model and its extensions
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Luca Di Luzio
2016-02-01
Full Text Available We review the formalism by which the tunnelling probability of an unstable ground state can be computed in quantum field theory, with special reference to the Standard Model of electroweak interactions. We describe in some detail the approximations implicitly adopted in such calculation. Particular attention is devoted to the role of scale invariance, and to the different implications of scale-invariance violations due to quantum effects and possible new degrees of freedom. We show that new interactions characterized by a new energy scale, close to the Planck mass, do not invalidate the main conclusions about the stability of the Standard Model ground state derived in absence of such terms.
Traces of Lorentz symmetry breaking in a Hydrogen atom at ground state
Borges, Luiz Henrique de Campos
2016-01-01
Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the Hydrogen atom are investigated. It is used standard Rayleigh-Schr\\"odinger perturbation theory in order to obtain the corrections to the the ground state energy and wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in reference Eur. Phys. J. C {\\bf 74}, 2937 (2014), where the Lorentz symmetry is broken in the electromagnetic sector.
Traces of Lorentz symmetry breaking in a hydrogen atom at ground state
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Borges, L.H.C. [Universidade Federal do ABC, Centro de Ciencias Naturais e Humanas, Santo Andre, SP (Brazil); Barone, F.A. [IFQ-Universidade Federal de Itajuba, Itajuba, MG (Brazil)
2016-02-15
Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)
Generalized Klein-Gordon models: Behavior around the ground state condensate
Kuetche, Victor K.
2014-07-01
In this work, we investigate the balance between the nonlinear and linear interaction energy of an interparticle anharmonic system in the vicinity of the ground state condensate. As a result, we find that the nonlinear interaction energy is very significant in the vicinity of each degree of freedom. We address some potential applications of the findings to miscellaneous areas of interests such as soliton theory, hydrodynamics, solid state physics, ferromagnetic and ferroelectric domain walls, condensed matter physics, and particle physics, among others.
Generalized Klein-Gordon models: behavior around the ground state condensate.
Kuetche, Victor K
2014-07-01
In this work, we investigate the balance between the nonlinear and linear interaction energy of an interparticle anharmonic system in the vicinity of the ground state condensate. As a result, we find that the nonlinear interaction energy is very significant in the vicinity of each degree of freedom. We address some potential applications of the findings to miscellaneous areas of interests such as soliton theory, hydrodynamics, solid state physics, ferromagnetic and ferroelectric domain walls, condensed matter physics, and particle physics, among others.
Quench of a symmetry-broken ground state
Giampaolo, S. M.; Zonzo, G.
2017-01-01
We analyze the problem of how different ground states associated with the same set of Hamiltonian parameters evolve after a sudden quench. To realize our analysis we define a quantitative approach to the local distinguishability between different ground states of a magnetically ordered phase in terms of the trace distance between the reduced density matrices obtained by projecting two ground states in the same subset. Before the quench, regardless of the particular choice of subset, any system in a magnetically ordered phase is characterized by ground states that are locally distinguishable. On the other hand, after the quench, the maximum distinguishability shows an exponential decay in time. Hence, in the limit of very long times, all the information about the particular initial ground state is lost even if the systems are integrable. We prove our claims in the framework of the magnetically ordered phases that characterize both the X Y and the N -cluster Ising models. The fact that we find similar behavior in models within different classes of symmetry makes us confident about the generality of our results.
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.
Olbrich, Sebastian; Mueller, Benjamin; Niederman, Fred
2011-01-01
Where IS research aims at theory building and testing, the vast bulk of theory is borrowed from reference disciplines. While this provides some momentum for research output, it also tends to shift the focus of research away from direct observation of central, core IS issues. The purpose of this pape
De-tabooing dying control - a grounded theory study
2013-01-01
Background Dying is inescapable yet remains a neglected issue in modern health care. The research question in this study was “what is going on in the field of dying today?” What emerged was to eventually present a grounded theory of control of dying focusing specifically on how people react in relation to issues about euthanasia and physician-assisted suicide (PAS). Methods Classic grounded theory was used to analyze interviews with 55 laypersons and health care professionals in North America and Europe, surveys on attitudes to PAS among physicians and the Swedish general public, and scientific literature, North American discussion forum websites, and news sites. Results Open awareness of the nature and timing of a patient’s death became common in health care during the 1960s in the Western world. Open dying awareness contexts can be seen as the start of a weakening of a taboo towards controlled dying called de-tabooing. The growth of the hospice movement and palliative care, but also the legalization of euthanasia and PAS in the Benelux countries, and PAS in Montana, Oregon and Washington further represents de-tabooing dying control. An attitude positioning between the taboo of dying control and a growing taboo against questioning patient autonomy and self-determination called de-paternalizing is another aspect of de-tabooing. When confronted with a taboo, people first react emotionally based on “gut feelings” - emotional positioning. This is followed by reasoning and label wrestling using euphemisms and dysphemisms - reflective positioning. Rarely is de-tabooing unconditional but enabled by stipulated positioning as in soft laws (palliative care guidelines) and hard laws (euthanasia/PAS legislation). From a global perspective three shapes of dying control emerge. First, suboptimal palliative care in closed awareness contexts seen in Asian, Islamic and Latin cultures, called closed dying. Second, palliative care and sedation therapy, but not euthanasia
Adjustment with Climate Change: Application of Grounded Theory
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Taher Azizi-Khalkheili
2014-11-01
The study place is Marvdasht in Fars Province that is one of the leading regions in the agriculture sector and is confronted with serious drought as well as reducing the precipitation in recent years. This qualitative study used grounded theory principles to collect and analyze data and provide a paradigmatic model. Research sample includes two villages, which were selected purposefully: Esmaeilabad with highest climate changes and Chamesohrabkhani with lowest climate changes in Marvdasht. In order to gather the required data field observations and in depth focus group interviews were used. Nine farmers in Esmaeilabad as well as eight farmers in Chamsohrabkhani attended in interview sessions. Questions were grouped into 4 categories: 1 Farmers’ perceptions about climate changes, the situation of agriculture and their properties; 2 farmers’ behavior toward adaptation, their future decisions and existed problems and obstacles; 3 farmers’ resources for climate information and consultation to farm management decisions; and 4 farmers’ perception about future of agriculture sector in this region. Discussion of Results & Conclusions The analytical process in grounded theory involves coding strategies: Open coding is the process of breaking down interviews, observations and other forms of appropriate data into distinct units of meaning which are labeled to generate concepts. The focus of axial coding is to create a model that details the specific conditions of phenomenon’s occurrence. Selective coding is the process of selecting the central or core category, systematically relating it to other categories, validating those relationships, and complete categories that need further refinement and development. Some major research results in this study according to the above coding system include: Farmers' perception about reduction in precipitation and warmer environment, decreasing in quantity and quality of crops, increasing crop pests and diseases, reduction of
De-tabooing dying control - a grounded theory study.
Thulesius, Hans O; Scott, Helen; Helgesson, Gert; Lynöe, Niels
2013-03-13
Dying is inescapable yet remains a neglected issue in modern health care. The research question in this study was "what is going on in the field of dying today?" What emerged was to eventually present a grounded theory of control of dying focusing specifically on how people react in relation to issues about euthanasia and physician-assisted suicide (PAS). Classic grounded theory was used to analyze interviews with 55 laypersons and health care professionals in North America and Europe, surveys on attitudes to PAS among physicians and the Swedish general public, and scientific literature, North American discussion forum websites, and news sites. Open awareness of the nature and timing of a patient's death became common in health care during the 1960s in the Western world. Open dying awareness contexts can be seen as the start of a weakening of a taboo towards controlled dying called de-tabooing. The growth of the hospice movement and palliative care, but also the legalization of euthanasia and PAS in the Benelux countries, and PAS in Montana, Oregon and Washington further represents de-tabooing dying control. An attitude positioning between the taboo of dying control and a growing taboo against questioning patient autonomy and self-determination called de-paternalizing is another aspect of de-tabooing. When confronted with a taboo, people first react emotionally based on "gut feelings" - emotional positioning. This is followed by reasoning and label wrestling using euphemisms and dysphemisms - reflective positioning. Rarely is de-tabooing unconditional but enabled by stipulated positioning as in soft laws (palliative care guidelines) and hard laws (euthanasia/PAS legislation). From a global perspective three shapes of dying control emerge. First, suboptimal palliative care in closed awareness contexts seen in Asian, Islamic and Latin cultures, called closed dying. Second, palliative care and sedation therapy, but not euthanasia or PAS, is seen in Europe and North
National Research Council Canada - National Science Library
Manuel SÁNCHEZ-SANVICENTE; María ROMERO-CALMACHE; Alejandro ÁLVAREZ-NOBELL; Paz ARAGÜÉS-DUFOL
2012-01-01
... subcategorías o conceptos y un conjunto de propiedades observables en el público interno. El presente artículo tiene por objetivo describir un modelo de estudio construido a partir de la Grounded Theory o...
Ground-state and excited-state structures of tungsten-benzylidyne complexes
Energy Technology Data Exchange (ETDEWEB)
Lovaasen, B. M.; Lockard, J. V.; Cohen, B. W.; Yang, S.; Zhang, X.; Simpson, C. K.; Chen, L. X.; Hopkins, M. D. (Chemical Sciences and Engineering Division); ( XSD); (The Univ. of Chicago)
2012-01-01
The molecular structure of the tungsten-benzylidyne complex trans-W({triple_bond}CPh)(dppe){sub 2}Cl (1; dppe = 1,2-bis(diphenylphosphino)ethane) in the singlet (d{sub xy}){sup 2} ground state and luminescent triplet (d{sub xy}){sup 1}({pi}*(WCPh)){sup 1} excited state (1*) has been studied using X-ray transient absorption spectroscopy, X-ray crystallography, and density functional theory (DFT) calculations. Molecular-orbital considerations suggest that the W-C and W-P bond lengths should increase in the excited state because of the reduction of the formal W-C bond order and decrease in W {yields} P {pi}-backbonding, respectively, between 1 and 1*. This latter conclusion is supported by comparisons among the W-P bond lengths obtained from the X-ray crystal structures of 1, (d{sub xy}){sup 1}-configured 1{sup +}, and (d{sub xy}){sup 2} [W(CPh)(dppe){sub 2}(NCMe)]{sup +} (2{sup +}). X-ray transient absorption spectroscopic measurements of the excited-state structure of 1* reveal that the W-C bond length is the same (within experimental error) as that determined by X-ray crystallography for the ground state 1, while the average W-P/W-Cl distance increases by 0.04 {angstrom} in the excited state. The small excited-state elongation of the W-C bond relative to the M-E distortions found for M({triple_bond}E)L{sub n} (E = O, N) compounds with analogous (d{sub xy}){sup 1}({pi}*(ME)){sup 1} excited states is due to the {pi} conjugation within the WCPh unit, which lessens the local W-C {pi}-antibonding character of the {pi}*(WCPh) lowest unoccupied molecular orbital (LUMO). These conclusions are supported by DFT calculations on 1 and 1*. The similar core bond distances of 1, 1{sup +}, and 1* indicates that the inner-sphere reorganization energy associated with ground- and excited-state electron-transfer reactions is small.
Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters
Souza, T. X. R.; Macedo, C. A.
2016-01-01
In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh’s conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653
Estimation of beryllium ground state energy by Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Kabir, K. M. Ariful [Department of Physical Sciences, School of Engineering and Computer Science, Independent University, Bangladesh (IUB) Dhaka (Bangladesh); Halder, Amal [Department of Mathematics, University of Dhaka Dhaka (Bangladesh)
2015-05-15
Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.
Probing quantum frustrated systems via factorization of the ground state.
Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio
2010-05-21
The existence of definite orders in frustrated quantum systems is related rigorously to the occurrence of fully factorized ground states below a threshold value of the frustration. Ground-state separability thus provides a natural measure of frustration: strongly frustrated systems are those that cannot accommodate for classical-like solutions. The exact form of the factorized ground states and the critical frustration are determined for various classes of nonexactly solvable spin models with different spatial ranges of the interactions. For weak frustration, the existence of disentangling transitions determines the range of applicability of mean-field descriptions in biological and physical problems such as stochastic gene expression and the stability of long-period modulated structures.
Analysis of ground state in random bipartite matching
Shi, Gui-Yuan; Liao, Hao; Zhang, Yi-Cheng
2015-01-01
In human society, a lot of social phenomena can be concluded into a mathematical problem called the bipartite matching, one of the most well known model is the marriage problem proposed by Gale and Shapley. In this article, we try to find out some intrinsic properties of the ground state of this model and thus gain more insights and ideas about the matching problem. We apply Kuhn-Munkres Algorithm to find out the numerical ground state solution of the system. The simulation result proves the previous theoretical analysis using replica method. In the result, we also find out the amount of blocking pairs which can be regarded as a representative of the system stability. Furthermore, we discover that the connectivity in the bipartite matching problem has a great impact on the stability of the ground state, and the system will become more unstable if there were more connections between men and women.
Bakir, Ali; Bakir, Vian
2006-01-01
In this paper we critique grounded theory's ability to fulfil its aim of offering a practical vehicle for prediction, change, and control as stipulated in grounded theory's original formulation by Glaser and Strauss, and later developed by Strauss. We do this through a case study approach, whereby we develop a grounded theory of leisure and…
Tree based machine learning framework for predicting ground state energies of molecules
Himmetoglu, Burak
2016-10-01
We present an application of the boosted regression tree algorithm for predicting ground state energies of molecules made up of C, H, N, O, P, and S (CHNOPS). The PubChem chemical compound database has been incorporated to construct a dataset of 16 242 molecules, whose electronic ground state energies have been computed using density functional theory. This dataset is used to train the boosted regression tree algorithm, which allows a computationally efficient and accurate prediction of molecular ground state energies. Predictions from boosted regression trees are compared with neural network regression, a widely used method in the literature, and shown to be more accurate with significantly reduced computational cost. The performance of the regression model trained using the CHNOPS set is also tested on a set of distinct molecules that contain additional Cl and Si atoms. It is shown that the learning algorithms lead to a rich and diverse possibility of applications in molecular discovery and materials informatics.
Tree based machine learning framework for predicting ground state energies of molecules
Himmetoglu, Burak
2016-01-01
We present an application of the boosted regression tree algorithm for predicting ground state energies of molecules made up of C, H, N, O, P, and S (CHNOPS). The PubChem chemical compound database has been incorporated to construct a dataset of 16,242 molecules, whose electronic ground state energies have been computed using density functional theory. This dataset is used to train the boosted regression tree algorithm, which allows a computationally efficient and accurate prediction of molecular ground state energies. Predictions from boosted regression trees are compared with neural network regression, a widely used method in the literature, and shown to be more accurate with significantly reduced computational cost. The performance of the regression model trained using the CHNOPS set is also tested on a set of distinct molecules that contain additional Cl and Si atoms. It is shown that the learning algorithms lead to a rich and diverse possibility of applications in molecular discovery and materials inform...
Integrating Software in the Teaching of Grounded Theory Methodology
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Agnes Mühlmeyer-Mentzel
2011-09-01
Full Text Available The implementation of our hands-on seminar is based on the understanding of grounded theory methodology (GTM as a craft that can be taught to a great extent. The successful learning process requires knowing, understanding and practising the procedural steps of this craft. It is also important to open up spaces for the development of reflexive and analytical competences. Having an orientation toward a research project within the teaching-learning process assists in deepening the understanding of GTM and provides a scope for practise and reflection at the same time. It is important for us to retain the student-centred nature of the teaching-learning process to enable active and praxis-oriented student engagement instead of focusing on the transmission of factual knowledge. The structural fit that exists between GTM and ATLAS.ti allows students to experience the software as a support in the analyses of their own data. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs1103171
Academic learning for specialist nurses: a grounded theory study.
Millberg, Lena German; Berg, Linda; Brämberg, Elisabeth Björk; Nordström, Gun; Ohlén, Joakim
2014-11-01
The aim was to explore the major concerns of specialist nurses pertaining to academic learning during their education and initial professional career. Specialist nursing education changed in tandem with the European educational reform in 2007. At the same time, greater demands were made on the healthcare services to provide evidence-based and safe patient-care. These changes have influenced specialist nursing programmes and consequently the profession. Grounded Theory guided the study. Data were collected by means of a questionnaire with open-ended questions distributed at the end of specialist nursing programmes in 2009 and 2010. Five universities were included. Further, individual, pair and group interviews were used to collect data from 12 specialist nurses, 5-14 months after graduation. A major concern for specialist nurses was that academic learning should be "meaningful" for their professional future. The specialist nurses' "meaningful academic learning process" was characterised by an ambivalence of partly believing in and partly being hesitant about the significance of academic learning and partly receiving but also lacking support. Specialist nurses were influenced by factors in two areas: curriculum and healthcare context. They felt that the outcome of contribution to professional confidence was critical in making academic learning meaningful.
Evolving Grounded Theory Methodology: towards a discursive approach.
McCreaddie, May; Payne, Sheila
2010-06-01
Grounded Theory Methodology (GTM) is a widely cited research approach based upon symbolic interaction with a focus on interaction, action and processes. Relatively recently, Discursive Psychology; a language-based interaction research approach also based on symbolic interaction, emerged. At present Discursive Psychology is principally cited in the social sciences literature. Given Discursive Psychology's symbolic interaction foundations, what relevance does this approach have for evolving GTM? A number of methodological challenges were posed by a study looking at humour in Clinical Nurse Specialist-patient interactions. This paper will use the phenomenon of spontaneous humour in healthcare interactions to illustrate the potential for a new form of GTM drawing on discursive approaches; Discursive GTM. First, the challenges presented by a study looking at spontaneous humour in Clinical Nurse Specialist-patient interactions are presented. Second, the research approach adopted to meet these challenges - Discursive GTM (DGTM) - is explicated and the results of the study are outlined. Third, the different GTM approaches and Discursive Psychology are compared and contrasted in relation to the DGTM approach adopted. Finally, the challenges and tensions of using DGTM as well as the opportunities afforded by the use of naturally occurring data are reviewed. The authors contend that a DGTM approach may be appropriate in analyzing certain phenomena. In particular, we highlight the potential contribution of naturally occurring data as an adjunct to researcher-elicited data. Thus, when exploring particular phenomena, a DGTM approach may address the potentially under-developed symbolic interaction tenet of language.
The journey into fatherhood: A grounded theory study.
Sansiriphun, Nantaporn; Kantaruksa, Kannika; Klunklin, Areewan; Baosuang, Chavee; Liamtrirat, Saowanee
2015-12-01
The objective of this study was to explore the process of transition into fatherhood for Thai men from childbirth to the postpartum period. Forty-one first-time Thai fathers were voluntarily recruited from two hospitals in Chiang Mai, Thailand, from December 2012 to June 2013. In-depth interviews were used to collect the data, which were analyzed based on grounded theory methodology. The basic social process that emerged as the core category was termed: "the journey into fatherhood." This process was divided into three phases: labor, delivery, and family beginning. Within this process, there were various situations, challenges, and pressures, which caused many changes of mood and feelings for the first-time fathers. Throughout this process, they applied various strategies to manage their concerns and needs, in order to develop into masterly fathers. Identifying the process of the journey into fatherhood provides nurses and midwives insight into the new fathers' experiences, which will enable them to be more sensitive, respectful, and effective caregivers.
The Process of Patient's Privacy: A Grounded Theory
Directory of Open Access Journals (Sweden)
Heidari
2011-12-01
Full Text Available Introduction: Ethics, customs, and divine and human values in all scientific and non-academic issues are accepted among all human societies in different eras. The purpose of this study was to understand the experiences of nursing professionals about the patient's privacy. Methods: 21 participants were selected by theoretical sampling which was guided by emerging categories. All participants were interviewed individually. Subjects were interviewed in a private setting and transcription was done after each interview. In-depth interviews and semi-structured questions were used for data collection. Corbin and Strauss’ Ground theory methodology was applied in order to explain the process of patient's privacy. Data analysis was an ongoing process which was started during data collection. Data analysis method included a three-step coding process including open coding, axial and selective coding through repeated line by line reading of transcripts. Results: Four central categories were identified from transcripts' constant comparative analysis: weakness of system, actors with serious effort, trying to maintain privacy and tension creation. Conclusion: Familiarity with how nurses deal with patient’s privacy can improve professional development, client satisfaction and observation of their rights. Nurses with sensitivity to patient’s privacy can manage their expectations respectfully.
[A Grounded Theory Approach on Nurses' Experience with Workplace Bullying].
Kang, Jiyeon; Yun, Seonyoung
2016-04-01
The purpose of this qualitative study was to explore the workplace bullying experience of Korean nurses. Participants were twenty current or former hospital nurses who had experienced workplace bullying. Data were collected through focus group and individual in-depth interviews from February to May, 2015. Theoretical sampling method was applied to the point of theoretical saturation. Transcribed interview contents were analyzed using Corbin and Strauss's grounded theory method. A total of 110 concepts, 48 sub-categories, and 17 categories were identified through the open coding process. As a result of axial coding based on the paradigm model, the central phenomenon of nurses' workplace bullying experience was revealed as 'teaching that has become bullying', and the core category was extracted as 'surviving in love-hate teaching' consisting of a four-step process: confronting reality, trial and error, relationship formation, and settlement. The relationship formation was considered to be the key phase to proceed to the positive settlement phase, and the participants utilized various strategies such as having an open mind, developing human relationships, understanding each other in this phase. The in-depth understanding of the workplace bullying experience has highlighted the importance of effective communication for cultivating desirable human relationships between nurses.
Ground states of the SU(N) Heisenberg model.
Kawashima, Naoki; Tanabe, Yuta
2007-02-02
The SU(N) Heisenberg model with various single-row representations is investigated by quantum Monte Carlo simulations. While the zero-temperature phase boundary agrees qualitatively with the theoretical predictions based on the 1/N expansion, some unexpected features are also observed. For N> or =5 with the fundamental representation, for example, it is suggested that the ground states possess exact or approximate U(1) degeneracy. In addition, for the representation of Young tableau with more than one column, the ground state shows no valence-bond-solid order even at N greater than the threshold value.
A Grounded Theory of Moral Reckoning in Nursing
Directory of Open Access Journals (Sweden)
Alvita K. Nathaniel, DSN, APRN, BC
2004-11-01
Full Text Available Moral distress is a pervasive problem in nursing, contributing to nurses’ emotional and physical health problems, loss of nurses’ ethical integrity,dissatisfaction with the work of nursing, and loss of nurses from the workforce. The purpose of this research was twofold: 1 to further elucidate the experiences and consequences of professional nurses’ moral distress and 2 to formulate a logical, systematic, and explanatory theory of moral distress and its consequences. METHOD: This Glaserian grounded theory study utilizedvolunteer and purposive sampling to recruit 21 registered nurses. Analysis of the data resulted in an original substantive theory of moral reckoning in nursing, which reaches further than the concept of moral distress, identifying a critical juncture in nurses’ lives and better explaining a process that affects nurses and the health care that they deliver. Results: Moral reckoning in nursing consists of a three-stage process. After a novice period, the nurse experiences a Stage of Ease in which there is comfort in the workplace and congruence of internal and external values. Unexpectedly, a situational bind occurs in which the nurse’s core beliefs come into irreconcilable conflict with social norms. This forces the nurse out of the Stage of Ease into the Stage of Resolution, in which the nurseeither gives up or makes a stand. The nurse then moves into the Stage of Reflection in which beliefs, values, and actions are iteratively examined. The nurse tries to make sense of experiences through remembering, telling the story, examining conflicts, and living with the consequences. Implications: In today’s complex health care system, nurses find themselves faced with morally troubling situations which if not resolved can lead to serious consequences for nurses, patients, and the health care system as a whole. This study sets the stage for further investigation on the human consequences of moral distress. Further, since moral
Coherent Control of Ground State NaK Molecules
Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin
2016-05-01
Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE
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).
Storberg-Walker, Julia
2007-01-01
This article presents a provisional grounded theory of conceptual development for applied theory-building research. The theory described here extends the understanding of the components of conceptual development and provides generalized relations among the components. The conceptual development phase of theory-building research has been widely…
Exploring Attitude Transformation: A Grounded Theory Study of Romanian Teachers of Roma Students
Jones, Laura Estella
2016-01-01
The purpose of this systematic grounded theory study was to explore the process of change in teacher attitudes toward including Roma ("Gypsy") students in non-segregated schools in Romania. The theories guiding this study included Mezirow's (1991, 2000) theory of transformation, Gay's (2002, 2013) theory of culturally responsive…
Exploring Attitude Transformation: A Grounded Theory Study of Romanian Teachers of Roma Students
Jones, Laura Estella
2016-01-01
The purpose of this systematic grounded theory study was to explore the process of change in teacher attitudes toward including Roma ("Gypsy") students in non-segregated schools in Romania. The theories guiding this study included Mezirow's (1991, 2000) theory of transformation, Gay's (2002, 2013) theory of culturally responsive…
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.
Grounded Theory in media research and the use of the computer
Hijmans, E.J.S.; Peters, V.A.M.
2000-01-01
This article offers, from a perspective of Grounded Theory, a comprehensive summary of general procedures for qualitative analysis and the advantages of the use of the computer. The Grounded Theory Approach is one of the most elaborated methods in the field of interpretive analysis within which anal
How to do a grounded theory study: a worked example of a study of dental practices
Directory of Open Access Journals (Sweden)
Evans R
2011-09-01
Full Text Available Abstract Background Qualitative methodologies are increasingly popular in medical research. Grounded theory is the methodology most-often cited by authors of qualitative studies in medicine, but it has been suggested that many 'grounded theory' studies are not concordant with the methodology. In this paper we provide a worked example of a grounded theory project. Our aim is to provide a model for practice, to connect medical researchers with a useful methodology, and to increase the quality of 'grounded theory' research published in the medical literature. Methods We documented a worked example of using grounded theory methodology in practice. Results We describe our sampling, data collection, data analysis and interpretation. We explain how these steps were consistent with grounded theory methodology, and show how they related to one another. Grounded theory methodology assisted us to develop a detailed model of the process of adapting preventive protocols into dental practice, and to analyse variation in this process in different dental practices. Conclusions By employing grounded theory methodology rigorously, medical researchers can better design and justify their methods, and produce high-quality findings that will be more useful to patients, professionals and the research community.
Grounded Theory: Managing the Challenge for Those Facing Institutional Review Board Oversight
O'Connor, Mary Katherine; Netting, F. Ellen; Thomas, M. Lori
2008-01-01
The authors examine one of the earliest systematic forms of qualitative inquiry to identify some of the boundaries needed in grounded theory designs to provide a small corner of clarity in the discourse about what is acceptable science from the Institutional Review Board (IRB) perspective. Beginning with an overview of grounded theory research as…
A Novel Method of Enhancing Grounded Theory Memos with Voice Recording
Stocker, Rachel; Close, Helen
2013-01-01
In this article the authors present the recent discovery of a novel method of supplementing written grounded theory memos with voice recording, the combination of which may provide significant analytical advantages over solely the traditional written method. Memo writing is an essential component of a grounded theory study, however it is often…
Striped spin liquid crystal ground state instability of kagome antiferromagnets.
Clark, Bryan K; Kinder, Jesse M; Neuscamman, Eric; Chan, Garnet Kin-Lic; Lawler, Michael J
2013-11-01
The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome antiferromagnet has potential instabilities. This has been suggested as the reason why it does not emerge as the ground state in large-scale numerical calculations. However, previous attempts to observe these instabilities have failed. We report on the discovery of a projected BCS state with lower energy than the projected Dirac spin liquid state which provides new insight into the stability of the ground state of the kagome antiferromagnet. The new state has three remarkable features. First, it breaks spatial symmetry in an unusual way that may leave spinons deconfined along one direction. Second, it breaks the U(1) gauge symmetry down to Z(2). Third, it has the spatial symmetry of a previously proposed "monopole" suggesting that it is an instability of the Dirac spin liquid. The state described herein also shares a remarkable similarity to the distortion of the kagome lattice observed at low Zn concentrations in Zn-paratacamite and in recently grown single crystals of volborthite suggesting it may already be realized in these materials.
Seth, Michael; Ziegler, Tom
2005-10-08
A method for calculating the UV-vis spectra of molecules with spatially degenerate ground states using time-dependent density-functional theory (TDDFT) is proposed. The new transformed reference via an intermediate configuration Kohn-Sham TDDFT (TRICKS-TDDFT) method avoids the difficulties caused by the multireference nature of spatially degenerate states by rather than utilizing the ground state instead taking a nondegenerate excited state with desirable properties as the reference for the TDDFT calculation. The scope and practical application of the method are discussed. Like all open-shell TDDFT calculations this method at times suffers from the inability to produce transitions to states that are eigenfunctions of the total spin operator. A technique for alleviating this difficulty to some extent is proposed. The applicability and accuracy of the TRICKS-TDDFT method is demonstrated through example calculations of several d(1) and d(2) transition metal complexes with tetrahedral and octahedral symmetries. For the most part, the results of these calculations are similar in quality to to those obtained from standard TDDFT calculations.
Asymptotics of Ground State Degeneracies in Quiver Quantum Mechanics
Cordova, Clay
2015-01-01
We study the growth of the ground state degeneracy in the Kronecker model of quiver quantum mechanics. This is the simplest quiver with two gauge groups and bifundamental matter fields, and appears universally in the context of BPS state counting in four-dimensional N=2 systems. For large ranks, the ground state degeneracy is exponential with slope a modular function that we are able to compute at integral values of its argument. We also observe that the exponential of the slope is an algebraic number and determine its associated algebraic equation explicitly in several examples. The speed of growth of the degeneracies, together with various physical features of the bound states, suggests a dual string interpretation.
Observation of Hyperfine Transitions in Trapped Ground-State Antihydrogen
Olin, Arthur
2015-01-01
This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4~parts~in~$10^3$. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.
Advantages of Unfair Quantum Ground-State Sampling.
Zhang, Brian Hu; Wagenbreth, Gene; Martin-Mayor, Victor; Hen, Itay
2017-04-21
The debate around the potential superiority of quantum annealers over their classical counterparts has been ongoing since the inception of the field. Recent technological breakthroughs, which have led to the manufacture of experimental prototypes of quantum annealing optimizers with sizes approaching the practical regime, have reignited this discussion. However, the demonstration of quantum annealing speedups remains to this day an elusive albeit coveted goal. We examine the power of quantum annealers to provide a different type of quantum enhancement of practical relevance, namely, their ability to serve as useful samplers from the ground-state manifolds of combinatorial optimization problems. We study, both numerically by simulating stoquastic and non-stoquastic quantum annealing processes, and experimentally, using a prototypical quantum annealing processor, the ability of quantum annealers to sample the ground-states of spin glasses differently than thermal samplers. We demonstrate that (i) quantum annealers sample the ground-state manifolds of spin glasses very differently than thermal optimizers (ii) the nature of the quantum fluctuations driving the annealing process has a decisive effect on the final distribution, and (iii) the experimental quantum annealer samples ground-state manifolds significantly differently than thermal and ideal quantum annealers. We illustrate how quantum annealers may serve as powerful tools when complementing standard sampling algorithms.
^{66}Ga ground state β spectrum
DEFF Research Database (Denmark)
Severin, Gregory; Knutson, L. D.; Voytas, P. A.;
2014-01-01
The ground state branch of the β decay of 66Ga is an allowed Fermi (0+ → 0+) transition with a relatively high f t value. The large f t and the isospin-forbidden nature of the transition indicates that the shape of the β spectrum of this branch may be sensitive to higher order contributions...
Magnetic excitons in singlet-ground-state ferromagnets
DEFF Research Database (Denmark)
Birgeneau, R.J.; Als-Nielsen, Jens Aage; Bucher, E.
1971-01-01
The authors report measurements of the dispersion of singlet-triplet magnetic excitons as a function of temperature in the singlet-ground-state ferromagnets fcc Pr and Pr3Tl. Well-defined excitons are observed in both the ferromagnetic and paramagnetic regions, but with energies which are nearly...
Minority nursing student success: A grounded theory case study
Mister, Brenda J.
There has been a dramatic increase in the nation's racial and ethnic minority populations over recent years. This increase is placing a higher demand on the health care industry to provide culturally competent care to these diverse populations. This challenge is met with yet another problem as the nation faces a critical shortage of nurses, particularly minority nurses. This shortage is only expected to worsen over the next several years. As schools of nursing across the country are being asked to increase the number of nursing program graduates, specifically minorities, they are confronted with a double edged sword as retention rates are decreasing, and attrition rates are increasing. This is particularly troublesome when many racial and ethnic minority nursing students do not graduate. This qualitative study was implemented to assess and understand the perceived educational experiences of racial and ethnic minority nursing students enrolled in a rural community college nursing program on the Eastern Shore of Maryland. Eight voluntary nursing students who identified themselves as either a racial or ethnic minority participated in the study. Data were collected by: individual audio-taped interview sessions; audio-taped focus group sessions; and documentation of field notes. Participants also provided demographic information and were asked to provide a brief written response to a scenario regarding increasing the recruitment and retention rates of minority nursing students. All data were analyzed utilizing the constant comparative method. Results of the study revealed six different themes: personal support systems and peer relationships; college services and academic resources; faculty support; cultural understanding versus cultural insensitivity; personal attributes of self-efficacy/advice for future nursing students; and suggestions for college and nursing program improvement. After the major themes were examined one central theme, a grounded theory, was born. The
Quality of life in schizophrenia: A grounded theory approach
Directory of Open Access Journals (Sweden)
Jackson Mike
2003-08-01
Full Text Available Abstract Background Research into health related quality of life (HRQoL in schizophrenia has predominantly been conducted using lengthy interviewer administered questionnaires, many of which have not been validated for use with schizophrenic samples. The present study seeks to address the dearth of qualitative research by conducting a small-scale qualitative exploration of the impact of schizophrenia on HRQoL. Method The study was conducted using the qualitative approach of grounded theory. Six individuals with a diagnosis of schizophrenia participated (3 men, 3 women. Mean age of participants was 33.3 years (range 20–55, mean length of illness was 12 years (range 2–38 years and average length of interviews was 47 minutes (range 20–70. Results Ten HRQoL domains were identified as being important: (1 barriers placed on relationships; (2 reduced control of behaviours and actions; (3 loss of opportunity to fulfil occupational roles; (4 financial constraints on activities and plans; (5 subjective experience of psychotic symptoms; (6 side effects and attitudes to medication; (7 psychological responses to living with schizophrenia; (8 labelling and attitudes from others; (9 concerns for the future and (10 positive outcomes from experiences. Conclusions Domains identified by participants encompassed a wide range of factors that may be expected to contribute generally to engaging in a positive quality of life. Participants identified that it was the loss of these things as a direct consequence of having schizophrenia that influenced their HRQoL. It would appear that in the main, factors that are secondary to the experience of schizophrenia are of most importance to participants. Suggestions are also made in the discussion for future research.
Living with coeliac disease: a grounded theory study.
Rose, C; Howard, R
2014-02-01
Coeliac disease can be controlled only through adherence to a gluten-free diet. This diet is highly restrictive and can be challenging to maintain. It has been linked with elevated levels of psychological distress, including depression, anxiety and social phobia. Narratives on living with coeliac disease were written by 130 adult members of Coeliac UK (mean age 52.7 years; mean time since diagnosis 10.2 years; 67% sample female; 28% male). Qualitative analysis using grounded theory methods identified five key categories: living with widespread ignorance; social invisibility; creating a coeliac community; a changed identity; grief - and accepting the trade-off. A psychosocial model of living with coeliac disease was constructed from the findings, the central category of which was the changed identity of those diagnosed with the condition. Grief was experienced in relation to a loss of the former diet, changed personal and social identities, loss of social confidence and loss of social activities. Grief was generally mitigated over time as adjustments were made to changes in identity and lifestyle. Creating (or becoming part of) a coeliac community was a strategy enabling those with coeliac disease to re-establish their identities and increase social recognition and acceptance of the condition. Gluten-free living entails a substantial restriction of food choice. The losses and changes entailed impact on the personal and social identities of those living with coeliac disease, and on the behaviour of others towards them. Psychosocial interventions focussed on facilitating coping and adjustment may benefit those experiencing difficulties. © 2013 The Authors Journal of Human Nutrition and Dietetics © 2013 The British Dietetic Association Ltd.
Student nurse socialisation in compassionate practice: a Grounded Theory study.
Curtis, Katherine; Horton, Khim; Smith, Pam
2012-10-01
Compassionate practice is expected of Registered Nurses (RNs) around the world while at the same time remaining a contested concept. Nevertheless, student nurses are expected to enact compassionate practice in order to become RNs. In order for this to happen they require professional socialisation within environments where compassion can flourish. However, there is concern that student nurse socialisation is not enabling compassion to flourish and be maintained upon professional qualification. In order to investigate this further, a glaserian Grounded Theory study was undertaken using in-depth, digitally recorded interviews with student nurses (n=19) at a university in the north of England during 2009 and 2010. Interviews were also undertaken with their nurse teachers (n=5) and data from National Health Service (NHS) patients (n=72,000) and staff (n=290,000) surveys were used to build a contextual picture of the student experience. Within the selected findings presented, analysis of the data indicates that students aspire to the professional ideal of compassionate practice although they have concerns about how compassionate practice might fit within the RN role because of constraints on RN practice. Students feel vulnerable to dissonance between professional ideals and practice reality. They experience uncertainty about their future role and about opportunities to engage in compassionate practice. Students manage their vulnerability and uncertainty by balancing between an intention to uphold professional ideals and challenge constraints, and a realisation they might need to adapt their ideals and conform to constraints. This study demonstrates that socialisation in compassionate practice is compromised by dissonance between professional idealism and practice realism. Realignment between the reality of practice and professional ideals, and fostering student resilience, are required if students are to be successfully socialised in compassionate practice and enabled
Grounded Theory and Pragmatism: The Curious Case of Anselm Strauss
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Antony Bryant
2009-07-01
Full Text Available Sir Arthur CONAN DOYLE's stories featuring Sherlock Holmes are justly famous the world over. In The Memoirs of Sherlock Holmes (1993 one story entitled Silver Blaze contains an exchange between Holmes and a Scotland Yard detective as follows: Gregory (Scotland Yard detective: "Is there any other point to which you would wish to draw my attention?" Holmes: "To the curious incident of the dog in the night-time." Gregory: "The dog did nothing in the night-time." Holmes: "That was the curious incident." In similar fashion I wish to draw attention to the curious case of Anselm STRAUSS: There is already a good deal of work pointing to the continuities between the Grounded Theory Method (GTM and the Pragmatism of John DEWEY and Charles PEIRCE. This has usually focused on Anselm STRAUSS with his Chicago-influenced Pragmatist background, although STRAUSS himself never articulated the way in which Pragmatism informed or could be brought to bear on the method as it evolved from the 1960s onwards. This paper argues that many of the contentious issues surrounding GTM can be resolved if they are understood against the context of some of the core tenets of Pragmatism, particularly the ways in which some of the more recent Pragmatists such as Richard RORTY have brought them back as a focus of attention. In so doing is raises the question of why, given his intellectual background and formation, Anselm STRAUSS did so little to bring Pragmatist ideas into GTM in its later embodiments and extended statements. That is the "curious incident" to which specific attention is drawn at several points in what follows; it remains a perplexing one, with perhaps no convincing solution, unlike the Sherlock Holmes mystery alluded to above. URN: urn:nbn:de:0114-fqs090325
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.
Dudek, Jerzy; Rouvel, David; Mazurek, Katarzyna; Shimizu, Yoshifumi; Tagami, Shingo
2014-01-01
We discuss the predictions of the large scale calculations using the realistic realisation of the phenomenological nuclear mean-field theory. Calculations indicate that certain Zirconium nuclei are tetrahedral-symmetric in their ground-states. After a short overview of the research of the nuclear tetrahedral symmetry in the past we analyse the predictive capacities of the method and focus on the $^{96}$Zr nucleus expected to be tetrahedral in its ground-state.
VARIATIONAL CALCULATION ON GROUND-STATE ENERGY OF BOUND POLARONS IN PARABOLIC QUANTUM WIRES
Institute of Scientific and Technical Information of China (English)
WANG ZHUANG-BING; WU FU-LI; CHEN QING-HU; JIAO ZHENG-KUAN
2001-01-01
Within the framework of Feynman path-integral variational theory, we calculate the ground-state energy of a polaron in parabolic quantum wires in the presence of a Coulomb potential. It is shown that the polaronic correction to the ground-state energy is more sensitive to the electron-phonon coupling constant than the Coulomb binding parameter,and it increases monotonically with decreasing effective wire radius. Moreover, compared to the results obtained by Feynman Haken variational path-integral theory, we obtain better results within the Feynman path-integral variational approach (FV approach). Applying our calculation to several polar semiconductor quantum wires, we find that the polaronic correction can be considerably large.
Pushing For Privileged Passage: A grounded theory of guardians to middle level mathematics students
Directory of Open Access Journals (Sweden)
Tina L. Johnston, Ph.D.
2008-03-01
Full Text Available This grounded theory research identified conflict over decisions about placement into high ability mathematics classes. A theory termed pushing for privileged passage emerged from data collected from parents and educators in the Northwest United States as well as international literature. Pushing occurs following a break down of trust among parents and/or educators over various facets of the school and over student abilitygrouping decisions in mathematics specifically. Subsequently they try to circumvent the system to gain advantaged placement for specific students. Those who push use investing strategies to insure a child’s future success. They use pressuring techniques on decision-makers to garner advanced mathematics access. Finally, those who push use strategic lobbying for program changes.
The ground state of medium-heavy nuclei with non central forces
Fabrocini, A
1997-01-01
We study microscopically the ground state properties of 16O and 40Ca nuclei within correlated basis function theory. A truncated version of the realistic Urbana v14 (U14) potential, without momentum dependent terms, is adopted with state dependent correlations having spin, isospin and tensor components. Fermi hypernetted chain integral equations and single operator chain approximation are used to evaluate one- and two-body densities and ground state energy. The results are in good agreement with the available variational MonteCarlo data, providing a first substantial check for the accuracy of the cluster expansion method with state dependent correlations. The finite nuclei treatment of non central interactions and correlations has, at least, the same level of accuracy as in infinite nuclear matter. The binding energy for the full U14+TNI interaction is computed, addressing its small momentum dependent contributions in local density approximation. The nuclei are underbound by about 1 MeV per nucleon. Further e...
Ab initio organic chemistry : a survey of ground- and excited states and aromaticity
Havenith, R.W.A.
2001-01-01
This thesis describes the application of quantum mechanical methods on organic chemistry. The ground- and excited states of functionalized oligo(cyclohexylidenes) have been explored as in function of chain length, conformation and substitution. VB theory has been used to study the effect of cyclopentafusion on pyrene on its aromatic characteristics. Finally, the relevant part of the C6 H6 potentional energy surface has been explored to shed light on the reaction mechanism of the thermal elect...
Collective excitations, instabilities, and ground state in dense quark matter
Gorbar, E V; Miransky, V A; Shovkovy, I A; Hashimoto, Michio
2006-01-01
We study the spectrum of light plasmons in the (gapped and gapless) two-flavor color superconducting phases and its connection with the chromomagnetic instabilities and the structure of the ground state. It is revealed that the chromomagnetic instabilities in the 4-7th and 8th gluonic channels correspond to two very different plasmon spectra. These spectra lead us to the unequivocal conclusion about the existence of gluonic condensates (some of which can be spatially inhomogeneous) in the ground state. We also argue that spatially inhomogeneous gluonic condensates should exist in the three-flavor quark matter with the values of the mass of strange quark corresponding to the gapless color-flavor locked state.
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.
The Postmodern Turn: Shall Classic Grounded Theory Take That Detour? A Review Essay
Directory of Open Access Journals (Sweden)
Vivian B. Martin, PhD
2006-06-01
Full Text Available Adherents to classic grounded theory have gotten used to spotting the pretenders working under the grounded theory banner. Some of these faux-GT researchers have worked in a fog, misunderstanding fundamentals of the method; these are the studies that leave us shaking our heads and wondering about the doctoral committee and peer reviewers who did not bother to find out more about the method they were evaluating. More infuriating are the authors who are claiming to improve on grounded theory, to reground it, to quote one notable British author who, lack of handson grounded theory experience aside, manages a booklength critique of the method. Two recent books in the“remaking grounded theory” genre are from sociologists with some years of grounded theory projects behind them. Adele E. Clarke, author of Situational Analysis, was a student and colleague of Anselm L. Strauss at the University of California San Francisco. Kathy Charmaz, author of Constructing Grounded Theory, is among the few grounded theorists who studied with Barney G. Glaser and Strauss at UCSF.
Mixed configuration ground state in iron(II) phthalocyanine
Energy Technology Data Exchange (ETDEWEB)
Fernandez-Rodriguez, Javier; Toby, Brian; van Veenendaal, Michel
2015-06-23
We calculate the angular dependence of the x-ray linear and circular dichroism at the L2,3 edges of α-Fe(II) Phthalocyanine (FePc) thin films using a ligand-field model with full configuration interaction. We find the best agreement with the experimental spectra for a mixed ground state of 3E (a2 e3b1 ) and 3B (a1 e4b1 ) g 1g g 2g 2g 1g g 2g with the two configurations coupled by the spin-orbit interaction. The 3Eg(b) and 3B2g states have easy-axis and easy-plane anisotropies, respectively. Our model accounts for an easy-plane magnetic anisotropy and the measured magnitudes of the in-plane orbital and spin moments. The proximity in energy of the two configurations allows a switching of the magnetic anisotropy from easy plane to easy axis with a small change in the crystal field, as recently observed for FePc adsorbed on an oxidized Cu surface. We also discuss the possibility of a quintet ground state (5A1g is 250 meV above the ground state) with planar anisotropy by manipulation of the Fe-C bond length by depositing the complex on a substrate that is subjected to a mechanical strain.
Qualitative research in healthcare: an introduction to grounded theory using thematic analysis.
Chapman, A L; Hadfield, M; Chapman, C J
2015-01-01
In today's NHS, qualitative research is increasingly important as a method of assessing and improving quality of care. Grounded theory has developed as an analytical approach to qualitative data over the last 40 years. It is primarily an inductive process whereby theoretical insights are generated from data, in contrast to deductive research where theoretical hypotheses are tested via data collection. Grounded theory has been one of the main contributors to the acceptance of qualitative methods in a wide range of applied social sciences. The influence of grounded theory as an approach is, in part, based on its provision of an explicit framework for analysis and theory generation. Furthermore the stress upon grounding research in the reality of participants has also given it credence in healthcare research. As with all analytical approaches, grounded theory has drawbacks and limitations. It is important to have an understanding of these in order to assess the applicability of this approach to healthcare research. In this review we outline the principles of grounded theory, and focus on thematic analysis as the analytical approach used most frequently in grounded theory studies, with the aim of providing clinicians with the skills to critically review studies using this methodology.
Mihaila, Bogdan; Heisenberg, Jochen
2000-04-01
We continue the investigations of ground state properties of closed-shell nuclei using the Argonne v18 realistic NN potential, together with the Urbana IX three-nucleon interaction. The ground state wave function is used to calculate the charge form factor and charge density. Starting with the ground state wave function of the closed-shell nucleus, we use the equation of motion technique to calculate the ground state and excited states of a neighboring nucleus. We then generate the corresponding magnetic form factor. We correct for distortions due to the interaction between the electron probe and the nuclear Coulomb field using the DWBA picture. We compare our results with the available experimental data. Even though our presentation will focus mainly on the ^16O and ^15N nuclei, results for other nuclei in the p and s-d shell will also be presented.
Thematic Review and Analysis of Grounded Theory Application in Software Engineering
Directory of Open Access Journals (Sweden)
Omar Badreddin
2013-01-01
Full Text Available We present metacodes, a new concept to guide grounded theory (GT research in software engineering. Metacodes are high level codes that can help software engineering researchers guide the data coding process. Metacodes are constructed in the course of analyzing software engineering papers that use grounded theory as a research methodology. We performed a high level analysis to discover common themes in such papers and discovered that GT had been applied primarily in three software engineering disciplines: agile development processes, geographically distributed software development, and requirements engineering. For each category, we collected and analyzed all grounded theory codes and created, following a GT analysis process, what we call metacodes that can be used to drive further theory building. This paper surveys the use of grounded theory in software engineering and presents an overview of successes and challenges of applying this research methodology.
Developing a Taxonomy of Dark Triad Triggers at Work – A Grounded Theory Study Protocol
Nübold, Annika; Bader, Josef; Bozin, Nera; Depala, Romil; Eidast, Helena; Johannessen, Elisabeth A.; Prinz, Gerhard
2017-01-01
In past years, research and corporate scandals have evidenced the destructive effects of the dark triad at work, consisting of narcissism (extreme self-centeredness), psychopathy (lack of empathy and remorse) and Machiavellianism (a sense of duplicity and manipulativeness). The dark triad dimensions have typically been conceptualized as stable personality traits, ignoring the accumulating evidence that momentary personality expressions – personality states – may change due to the characteristics of the situation. The present research protocol describes a qualitative study that aims to identify triggers of dark triad states at work by following a grounded theory approach using semi-structured interviews. By building a comprehensive categorization of dark triad triggers at work scholars may study these triggers in a parsimonious and structured way and organizations may derive more effective interventions to buffer or prevent the detrimental effects of dark personality at work. PMID:28326048
Ground-State Phase Diagram of S = 1 Diamond Chains
Hida, Kazuo; Takano, Ken'ichi
2017-03-01
We investigate the ground-state phase diagram of a spin-1 diamond chain. Owing to a series of conservation laws, any eigenstate of this system can be expressed using the eigenstates of finite odd-length chains or infinite chains with spins 1 and 2. The ground state undergoes quantum phase transitions with varying λ, a parameter that controls frustration. Exact upper and lower bounds for the phase boundaries between these phases are obtained. The phase boundaries are determined numerically in the region not explored in a previous work [Takano et al., https://doi.org/10.1088/0953-8984/8/35/009" xlink:type="simple">J. Phys.: Condens. Matter 8, 6405 (1996)].
Ground-state rotational constants of 12CH 3D
Chackerian, C.; Guelachvili, G.
1980-12-01
An analysis of ground-state combination differences in the ν2( A1) fundamental band of 12CH 3D ( ν0 = 2200.03896 cm -1) has been made to yield values for the rotational constants B0, D0J, D0JK, H0JJJ, H0JJK, H0JKK, LJJJJ, L0JJJK, and order of magnitude values for L0JJKK and L0JKKK. These constants should be useful in assisting radio searches for this molecule in astrophysical sources. In addition, splittings of A1A2 levels ( J ≥ 17, K = 3) have been measured in both the ground and excited vibrational states of this band.
Non-uniform ground state for the Bose gas
2000-01-01
We study the ground state, sum a_X |X>, of N hard-core bosons on a finite lattice in configuration space, X={x_1,...,x_N}. All a_X being positive, the ratios a_X / sum a_Y can be interpreted as probabilities P_a (X). Let E denote the energy of the ground state and B_X the number of nearest-neighbor particle-hole pairs in the configuration X. We prove the concentration of P_a to X's with B_X in a sqrt(|E|)-neighborhood of |E|, show that the average of a_X over configurations with B_X=n increas...
EIT ground-state cooling of long ion strings
Lechner, R; Hempel, C; Jurcevic, P; Lanyon, B P; Monz, T; Brownnutt, M; Blatt, R; Roos, C F
2016-01-01
Electromagnetically-induced-transparency (EIT) cooling is a ground-state cooling technique for trapped particles. EIT offers a broader cooling range in frequency space compared to more established methods. In this work, we experimentally investigate EIT cooling in strings of trapped atomic ions. In strings of up to 18 ions, we demonstrate simultaneous ground state cooling of all radial modes in under 1 ms. This is a particularly important capability in view of emerging quantum simulation experiments with large numbers of trapped ions. Our analysis of the EIT cooling dynamics is based on a novel technique enabling single-shot measurements of phonon numbers, by rapid adiabatic passage on a vibrational sideband of a narrow transition.
Room temperature skyrmion ground state stabilized through interlayer exchange coupling
Energy Technology Data Exchange (ETDEWEB)
Chen, Gong, E-mail: gchenncem@gmail.com; Schmid, Andreas K. [NCEM, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Mascaraque, Arantzazu [Depto. Física de Materiales, Universidad Complutense de Madrid, 28040 Madrid (Spain); Unidad Asociada IQFR (CSIC) - UCM, 28040 Madrid (Spain); N' Diaye, Alpha T. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2015-06-15
Possible magnetic skyrmion device applications motivate the search for structures that extend the stability of skyrmion spin textures to ambient temperature. Here, we demonstrate an experimental approach to stabilize a room temperature skyrmion ground state in chiral magnetic films via exchange coupling across non-magnetic spacer layers. Using spin polarized low-energy electron microscopy to measure all three Cartesian components of the magnetization vector, we image the spin textures in Fe/Ni films. We show how tuning the thickness of a copper spacer layer between chiral Fe/Ni films and perpendicularly magnetized Ni layers permits stabilization of a chiral stripe phase, a skyrmion phase, and a single domain phase. This strategy to stabilize skyrmion ground states can be extended to other magnetic thin film systems and may be useful for designing skyrmion based spintronics devices.
Terahertz spectroscopy of ground state HD18O
Yu, Shanshan; Pearson, John C.; Drouin, Brian J.; Miller, Charles E.; Kobayashi, Kaori; Matsushima, Fusakazu
2016-10-01
Terahertz absorption spectroscopy was employed to measure the ground state pure rotational transitions of the water isotopologue HD18O . A total of 105 pure rotational transitions were observed in the 0.5-5.0 THz region with ∼ 100 kHz accuracy for the first time. The observed positions were fit to experimental accuracy using the Euler series expansion of the asymmetric-top Hamiltonian together with the literature Microwave, Far-IR and IR data in the ground state and ν2 . The new measurements and predictions reported here support the analysis of astronomical observations by high-resolution spectroscopic telescopes such as SOFIA and ALMA where laboratory rest frequencies with uncertainties of 1 MHz or less are required for proper analysis of velocity resolved astrophysical data.
The Postmodern Turn: Shall Classic Grounded Theory Take That Detour? A Review Essay
2006-01-01
Adherents to classic grounded theory have gotten used to spotting the pretenders working under the grounded theory banner. Some of these faux-GT researchers have worked in a fog, misunderstanding fundamentals of the method; these are the studies that leave us shaking our heads and wondering about the doctoral committee and peer reviewers who did not bother to find out more about the method they were evaluating. More infuriating are the authors who are claiming to improve on grounded theory, t...
Mukherjee, Sutirtha; Mandal, Sudhansu
The internal structure and topology of the ground states for fractional quantum Hall effect (FQHE) are determined by the relative angular momenta between all the possible pairs of electrons. Laughlin wave function is the only known microscopic wave function for which these relative angular momenta are homogeneous (same) for any pair of electrons and depend solely on the filling factor. Without invoking any microscopic theory, considering only the relationship between number of flux quanta and particles in spherical geometry, and allowing the possibility of inhomogeneous (different) relative angular momenta between any two electrons, we develop a general method for determining a closed-form ground state wave function for any incompressible FQHE state. Our procedure provides variationally obtained very accurate wave functions, yet having simpler structure compared to any other known complex microscopic wave functions for the FQHE states. This method, thus, has potential in predicting a very accurate ground state wave function for the puzzling states such as the state at filling fraction 5/2. We acknowledge support from Department of Science and Technology, India.
Ground state solutions for non-local fractional Schrodinger equations
Directory of Open Access Journals (Sweden)
Yang Pu
2015-08-01
Full Text Available In this article, we study a time-independent fractional Schrodinger equation with non-local (regional diffusion $$ (-\\Delta^{\\alpha}_{\\rho}u + V(xu = f(x,u \\quad \\text{in }\\mathbb{R}^{N}, $$ where $\\alpha \\in (0,1$, $N > 2\\alpha$. We establish the existence of a non-negative ground state solution by variational methods.
0{sup +} ground state dominance in many-body systems
Energy Technology Data Exchange (ETDEWEB)
Zhao, Yu-Min [Southeast Univ., Dept. of Physics, Nanjing (China); Arima, Akito [The House of Councilors, Tokyo (Japan); Yoshinaga, Naotaka [Saitama Univ., Physics Dept., Saitama (Japan)
2002-12-01
We propose a simple approach to predict the angular momentum I ground states (Ig.s.) probabilities of many-body systems without diagonalization of the hamiltonian using random interactions. It is suggested that the 0g.s. dominance in boson systems and even valence nucleon systems is not given by the model space as previously assumed, but by specific two-body interactions. (author)
Detecting topological order in a ground state wave function
2005-01-01
A large class of topological orders can be understood and classified using the string-net condensation picture. These topological orders can be characterized by a set of data (N, d_i, F^{ijk}_{lmn}, \\delta_{ijk}). We describe a way to detect this kind of topological order using only the ground state wave function. The method involves computing a quantity called the ``topological entropy'' which directly measures the quantum dimension D = \\sum_i d^2_i.
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...
Three-dimensional quantum calculations on the ground and excited state vibrations of ethylene
Groenenboom, Gerrit Cornelis
Three dimensional potential energy surfaces of the ground and excited states of ethylene were calculated at the MRCEPA (Multi Reference Coupled Electronic Pair Approximation) level. The modes included are the torsion, the CC stretch, and the symmetric scissors. Full vibrational calculations were performed using the Lanczos/grid method. The avoided crossing between the V and the R state was dealt with in a diabetic model. The ground state results agree within 3 up to the highest vibrational level known experimentally. The origin and the maximum of the V back arrow N band are calculated at 5.68 and 7.82 eV, respectively, approximately 0.2 eV above the somewhat ambiguous experimental values. This work considerably diminishes the existing gap of approximately 0.5 eV between theory and experiment.
Ground states of bilayered and extended t-J-U models
Energy Technology Data Exchange (ETDEWEB)
Voo, Khee-Kyun, E-mail: kkvoo@mail.oit.edu.tw
2015-09-04
The ground states of bilayered and extended t-J-U models are investigated with renormalized mean field theory. The trial wave functions are Gutzwiller projected Hartree–Fock states, and the site double occupancies are variational parameters. It is found that a spontaneous interlayer phase separation (PS) may arise in bilayers. In electron–hole doping asymmetric systems, the propensity for PS is stronger in electron doped bands. Via a PS, superconductivity can survive to lower doping densities, and antiferromagnetism in electron doped systems may survive to higher doping densities. The result is related to the superconducting cuprates. - Highlights: • Ground states in doped bilayered t-J-U models are studied. • Variational wave functions are Gutzwiller projected wave functions. • Site double occupancies are variational parameters. • Spontaneous interlayer phase separation may occur in bilayers. • Stronger tendency toward phase separation in electron doped bilayers.
Alternative ground states enable pathway switching in biological electron transfer
Abriata, Luciano A.; Álvarez-Paggi, Damián; Ledesma, Gabriela N.; Blackburn, Ninian J.; Vila, Alejandro J.; Murgida, Daniel H.
2012-01-01
Electron transfer is the simplest chemical reaction and constitutes the basis of a large variety of biological processes, such as photosynthesis and cellular respiration. Nature has evolved specific proteins and cofactors for these functions. The mechanisms optimizing biological electron transfer have been matter of intense debate, such as the role of the protein milieu between donor and acceptor sites. Here we propose a mechanism regulating long-range electron transfer in proteins. Specifically, we report a spectroscopic, electrochemical, and theoretical study on WT and single-mutant CuA redox centers from Thermus thermophilus, which shows that thermal fluctuations may populate two alternative ground-state electronic wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. These findings suggest a unique role for alternative or “invisible” electronic ground states in directional electron transfer. Moreover, it is shown that this energy gap and, therefore, the equilibrium between ground states can be fine-tuned by minor perturbations, suggesting alternative ways through which protein–protein interactions and membrane potential may optimize and regulate electron–proton energy transduction. PMID:23054836
Nuclear ground-state masses and deformations: FRDM(2012)
Moller, P; Ichikawa, T; Sagawa, H
2015-01-01
We tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from $^{16}$O to $A=339$. The calculations are based on the finite-range droplet macroscopic model and the folded-Yukawa single-particle microscopic model. Relative to our FRDM(1992) mass table in {\\sc Atomic Data and Nuclear Data Tables} [{\\bf 59} 185 (1995)], the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensive and more accurate experimental mass data base now available allows us to determine one additional macroscopic-model parameter, the density-symmetry coefficient $L$, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some high...
Effect of spin-orbit coupling on the ground state structure of mercury
Mishra, Vinayak; Gyanchandani, Jyoti; Chaturvedi, Shashank; Sikka, S. K.
2014-05-01
Near zero kelvin ground state structure of mercury is the body centered tetragonal (BCT) structure (β Hg). However, in all previously reported density functional theory (DFT) calculations, either the rhombohedral or the HCP structure has been found to be the ground state structure. Based on the previous calculations it was predicted that the correct treatment of the SO effects would improve the result. We have performed FPLAPW calculations, with and without inclusion of the SO coupling, for determining the ground state structure. These calculations determine rhombohedral structure as the ground state structure instead of BCT structure. The calculations, without inclusion of SO effect, predict that the energies of rhombohedral and BCT structures are very close to each other but the energy of rhombohedral structure is lower than that of BCT structure at ambient as well as high pressure. On the contrary, the SO calculations predict that though at ambient conditions the rhombohedral structure is the stable structure but on applying a pressure of 3.2 GPa, the BCT structure becomes stable. Hence, instead of predicting the stability of BCT structure at zero pressure, the SO calculations predict its stability at 3.2 GPa. This small disagreement is expected when the energy differences between the structures are small.
2008-01-01
Purpose: This paper is a comment on Gurd's paper published in QRAM 5(2) on the use of grounded theory in interpretive accounting research. Methodology: Like Gurd, we conducted a bibliographic study on prior pieces of research claiming the use of grounded theory. Findings: We found a large diversity of ways of doing grounded theory. There are as many ways as articles. Consistent with the spirit of grounded theory, the field suggested the research questions, methods and verifiability criteria. ...
Coupled cluster calculations of ground and excited states of nuclei
Kowalski, K L; Hjorth-Jensen, M; Papenbrock, T; Piecuch, P
2004-01-01
The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He-4 and O-16 nuclei. A comparison of coupled cluster results with the results of the exact diagonalization of the Hamiltonian in the same model space shows that the quantum chemistry inspired coupled cluster approximations provide an excellent description of ground and excited states of nuclei. The bulk of the correlation effects is obtained at the coupled cluster singles and doubles level. Triples, treated noniteratively, provide the virtually exact description.
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....
Self-perceived participation among adults with spinal cord injury: a grounded theory study
National Research Council Canada - National Science Library
Ripat, J D; Woodgate, R L
2012-01-01
A grounded theory study of 19 adults with spinal cord injury was conducted. Participants engaged in individual in-depth interviews, and took photographs of aspects of their environment that promoted and restricted participation...
The Grounded Theory Method: Deconstruction and Reconstruction in a Human Patient Simulation Context
Directory of Open Access Journals (Sweden)
Brian Parker PhD
2011-03-01
Full Text Available Certain modes of qualitative inquiry, such as grounded theory, can serve to uncover the abstract processes and broad conceptual themes influencing the personal experiences of undergraduate nursing students encountering clinical scenarios utilizing human patient simulators (HPS. To date insufficient research has been conducted to uncover the basic social-psychological processes encountered by students as they engage in a HPS-based clinical scenario. The authors assert that HPS-based learning experiences are in reality social endeavors that lead to the creation of socially negotiated knowledge and meanings relevant to the adult learner. To understand how grounded theory is suited to deriving answers to these questions, an analysis of the theoretical and philosophical foundations of grounded theory is undertaken. This critical analysis concludes with a discussion of specific considerations to be reflected upon by researchers when applying the inductively derived method of grounded theory in uncovering the social processes that occur within HPS-based clinical scenarios.
National Research Council Canada - National Science Library
Hana Nenickova
2013-01-01
The objective of this article is to present the grounded theory using in the qualitative research as a basis to build a business analysis methodology for the implementation of information systems...
Ground states of bilayered and extended t-J-U models
Voo, Khee-Kyun
2015-09-01
The ground states of bilayered and extended t-J-U models are investigated with renormalized mean field theory. The trial wave functions are Gutzwiller projected Hartree-Fock states, and the site double occupancies are variational parameters. It is found that a spontaneous interlayer phase separation (PS) may arise in bilayers. In electron-hole doping asymmetric systems, the propensity for PS is stronger in electron doped bands. Via a PS, superconductivity can survive to lower doping densities, and antiferromagnetism in electron doped systems may survive to higher doping densities. The result is related to the superconducting cuprates.
Satisfaction with College Major: A Grounded Theory Study
Milsom, Amy; Coughlin, Julie
2015-01-01
All college students must eventually choose and complete a major. Many switch majors, and some change it multiple times. Despite extensive literature addressing factors that influence students' initial choice of major, few scholars have examined students' experiences after enrollment in a selected major. In this study, we used a grounded theory…
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.
Banton, Cynthia L.
2014-01-01
The purpose of this qualitative grounded theory study was to explore and examine the factors that led to the creation of multiple record entries, and present a theory on the impact the problem has on the business performance of health care organizations. A sample of 59 health care professionals across the United States participated in an online…
Continuous Vibrational Cooling of Ground State Rb2
Tallant, Jonathan; Marcassa, Luis
2014-05-01
The process of photoassociation generally results in a distribution of vibrational levels in the electronic ground state that is energetically close to the dissociation limit. Several schemes have appeared that aim to transfer the population from the higher vibrational levels to lower ones, especially the ground vibrational state. We demonstrate continuous production of vibrationally cooled Rb2 using optical pumping. The vibrationally cooled molecules are produced in three steps. First, we use a dedicated photoassociation laser to produce molecules in high vibrational levels of the X1Σg+ state. Second, a broadband fiber laser at 1071 nm is used to transfer the molecules to lower vibrational levels via optical pumping through the A1Σu+ state. This process transfers the molecules from vibrational levels around ν ~= 113 to a distribution of levels where ν superluminescent diode near 685 nm that has its frequency spectrum shaped. The resulting vibrational distributions are probed using resonance-enhanced multiphoton ionization with a pulsed dye laser near 670 nm. The results are presented and compared with theoretical simulations. This work was supported by Fapesp and INCT-IQ.
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.).
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...
Estimating the ground-state probability of a quantum simulation with product-state measurements
Directory of Open Access Journals (Sweden)
Bryce eYoshimura
2015-10-01
Full Text Available .One of the goals in quantum simulation is to adiabatically generate the ground state of a complicated Hamiltonian by starting with the ground state of a simple Hamiltonian and slowly evolving the system to the complicated one. If the evolution is adiabatic and the initial and final ground states are connected due to having the same symmetry, then the simulation will be successful. But in most experiments, adiabatic simulation is not possible because it would take too long, and the system has some level of diabatic excitation. In this work, we quantify the extent of the diabatic excitation even if we do not know {it a priori} what the complicated ground state is. Since many quantum simulator platforms, like trapped ions, can measure the probabilities to be in a product state, we describe techniques that can employ these simple measurements to estimate the probability of being in the ground state of the system after the diabatic evolution. These techniques do not require one to know any properties about the Hamiltonian itself, nor to calculate its eigenstate properties. All the information is derived by analyzing the product-state measurements as functions of time.
Vexiau, R; Aymar, M; Bouloufa-Maafa, N; Dulieu, O
2015-01-01
We have calculated the isotropic $C\\_6$ coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state $X^1\\Sigma^+$. We consider the ten species made up of $^7$Li, $^{23}$Na, $^{39}$K, $^{87}$Rb and $^{133}$Cs. Following our previous work [M.~Lepers \\textit{et.~al.}, Phys.~Rev.~A \\textbf{88}, 032709 (2013)] we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels, and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it i...
Search for $^{12}$C+$^{12}$C clustering in $^{24}$Mg ground state
Indian Academy of Sciences (India)
B N JOSHI; ARUN K JAIN; D C BISWAS; B V JOHN; Y K GUPTA; L S DANU; R P VIND; G K PRAJAPATI; S MUKHOPADHYAY; A SAXENA
2017-02-01
In the backdrop of many models, the heavy cluster structure of the ground state of $^{24}$Mg has been probed experimentally for the first time using the heavy cluster knockout reaction $^{24}$Mg($^{12}$C, $^{212}$C)$^{12}$C in thequasifree scattering kinematic domain. In the ($^{12}$C, $^{212}$C) reaction, the direct $^{12}$C-knockout cross-section was found to be very small. Finite-range knockout theory predictions were much larger for ($^{12}$C, 212C) reaction,indicating a very small $^{12}$C−$^{12}$C clustering in $^{24}$Mg(g.s.). Our present results contradict most of the proposed heavy cluster ($^{12}$C+$^{12}$C) structure models for the ground state of $^{24}$Mg.
Ground state energy of a non-integer number of particles with δ attractive interactions
Brunet, Éric; Derrida, Bernard
2000-04-01
We show how to define and calculate the ground state energy of a system of quantum particles with δ attractive interactions when the number of particles n is non-integer. The question is relevant to obtain the probability distribution of the free energy of a directed polymer in a random medium. When one expands the ground state energy in powers of the interaction, all the coefficients of the perturbation series are polynomials in n, allowing to define the perturbation theory for non-integer n. We develop a procedure to calculate all the cumulants of the free energy of the directed polymer and we give explicit, although complicated, expressions of the first three cumulants.
Universal Wave-Function Overlap and Universal Topological Data from Generic Gapped Ground States.
Moradi, Heidar; Wen, Xiao-Gang
2015-07-17
We propose a way-universal wave-function overlap-to extract universal topological data from generic ground states of gapped systems in any dimensions. Those extracted topological data might fully characterize the topological orders with a gapped or gapless boundary. For nonchiral topological orders in (2+1)D, these universal topological data consist of two matrices S and T, which generate a projective representation of SL(2,Z) on the degenerate ground state Hilbert space on a torus. For topological orders with a gapped boundary in higher dimensions, these data constitute a projective representation of the mapping class group MCG(M^{d}) of closed spatial manifold M^{d}. For a set of simple models and perturbations in two dimensions, we show that these quantities are protected to all orders in perturbation theory. These overlaps provide a much more powerful alternative to the topological entanglement entropy and allow for more efficient numerical implementations.
Ground-State Phase Diagram of S = 2 Heisenberg Chains with Alternating Single-Site Anisotropy
Hida, Kazuo
2014-03-01
The ground-state phase diagram of S = 2 antiferromagnetic Heisenberg chains with coexisting uniform and alternating single-site anisotropies is investigated by the numerical exact diagonalization and density matrix renormalization group methods. We find the Haldane, large-D, Néel, period-doubled Néel, gapless spin fluid, quantized and partial ferrimagnetic phases. The Haldane phase is limited to the close neighborhood of the isotropic point. Within numerical accuracy, the transition from the gapless spin-fluid phase to the period-doubled Néel phase is a direct transition. Nevertheless, the presence of a narrow spin-gap phase between these two phases is suggested on the basis of the low-energy effective theory. The ferrimagnetic ground state is present in a wide parameter range. This suggests the realization of magnetized single-chain magnets with a uniform spin magnitude by controlling the environment of each magnetic ion without introducing ferromagnetic interactions.
Directivity in NGA earthquake ground motions: Analysis using isochrone theory
Spudich, P.; Chiou, B.S.J.
2008-01-01
We present correction factors that may be applied to the ground motion prediction relations of Abrahamson and Silva, Boore and Atkinson, Campbell and Bozorgnia, and Chiou and Youngs (all in this volume) to model the azimuthally varying distribution of the GMRotI50 component of ground motion (commonly called 'directivity') around earthquakes. Our correction factors may be used for planar or nonplanar faults having any dip or slip rake (faulting mechanism). Our correction factors predict directivity-induced variations of spectral acceleration that are roughly half of the strike-slip variations predicted by Somerville et al. (1997), and use of our factors reduces record-to-record sigma by about 2-20% at 5 sec or greater period. ?? 2008, Earthquake Engineering Research Institute.
de Medeiros, Ana Lúcia; dos Santos, Sérgio Ribeiro; de Cabral, Rômulo Wanderley Lima
2012-09-01
This study was aimed at understanding, from the nurses' perspective, the experience of going through the Systematization of nursing care (SNC) in an obstetric service unit. We used grounded theory as the theoretical and methodological framework. The subjects of this study consisted of thirteen nurses from a public hospital in the city of João Pessoa, in the state of Paraíba. The data analysis resulted in the following phenomenon. "perceiving SNC as a working method that organizes, directs and improves the quality of care by bringing visibility and providing security for the nursing staff" The nurses expressed the extent of knowledge about the SNC experienced in obstetrics as well as considered the nursing process as a decision-making process, which guides the reasoning of nurses in the planning of nursing care in obstetrics. It was concluded that nurses perceive the SNC as an instrument of theoretical-practical articulation leading to personalized assistance.
From Fantasy to Reality: A Grounded Theory of Experiences in the Swinging Lifestyle.
Kimberly, Claire; Hans, Jason D
2015-11-23
Swinger couples-committed couples who consensually engage in extra-relational sex for recreational purposes-are difficult for researchers to access due to the social stigma associated with swinging. This study builds upon the limited research on swinger couples by examining personal experiences with swinging. Specifically, 32 semi-structured interviews with swingers (16 husband-wife dyads, interviewed separately) were analyzed using grounded theory methods to understand the process of transitioning into and maintaining marital satisfaction in the swinging lifestyle. The model formed included (a) antecedent steps taken to enter into the lifestyle, (b) types of desires fulfilled, (c) stated benefits of being in the lifestyle, and (d) rules that guided couples throughout the process. Although variations were found across couples, the effective use of verbal and non-verbal communication to increase sexual and marital satisfaction within these non-monogamous couples was paramount to their experiences.
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.
[Therapeutic Nursing in Neurological (Early-)Rehabilitation: A Grounded Theory Study].
Lautenschläger, S
2015-08-01
What is therapeutic nursing? This question is gaining relevance in the context of the billing of services in the DRG system (DRG=Diagnosis-Related Groups), because in paragraph 8-552 of the operations and procedures coding system (OPS), it is explicitly stated that therapeutic care must be carried out by specially trained personnel. To date, empirical results on therapeutic nursing in neurological early rehabilitation are sparse. The objective of the study is to develop a theory of therapeutic care in neurological early rehabilitation. The study is based on the method of grounded theory. Open participatory observations (n=92) and episodic interviews (n=10) with nursing professionals and nursing auxiliaries were conducted in 5 inpatient rehabilitation clinics. The theory of therapeutic nursing includes 6 categories: (1) nursing care, (2) observation/perception, (3) communication, (4) autonomy and individual needs of patients and their relatives, (5) multi-professional team and (6) prerequisites. The results indicate which aspects are included in therapeutic nursing and the necessary prerequisites for delivering therapeutic nursing. Against this background, continuing education programs reveal conspicuous gaps in the area of knowledge transfer and application in practice. The results of the study should be taken into consideration and integrated in nursing education, both at the basic level and in continuing education. © Georg Thieme Verlag KG Stuttgart · New York.
Ultracold Heteronuclear Mixture of Ground and Excited State Atoms
Khramov, Alexander; Dowd, William; Roy, Richard; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana; Gupta, Subhadeep
2014-01-01
We report on the realization of an ultracold mixture of lithium atoms in the ground state and ytterbium atoms in the excited metastable 3P2 state. Such a mixture can support broad magnetic Feshbach resonances which may be utilized for the production of ultracold molecules with an electronic spin degree of freedom, as well as novel Efimov trimers. We investigate the interaction properties of the mixture in the presence of an external magnetic field and find an upper limit for the background interspecies two-body inelastic decay coefficient of K'2 < 3e-12 cm^3/s for the 3P2 m_J=-1 substate. We calculate the dynamic polarizabilities of the Yb 3P2 magnetic substates for a range of wavelengths, and find good agreement with our measurements at 1064nm. Our calculations also allow the identification of magic frequencies where Yb ground and metastable states are identically trapped and the determination of the interspecies van der Waals coefficients.
Spatial competition of the ground states in 1111 iron pnictides
Lang, G.; Veyrat, L.; Gräfe, U.; Hammerath, F.; Paar, D.; Behr, G.; Wurmehl, S.; Grafe, H.-J.
2016-07-01
Using nuclear quadrupole resonance, the phase diagram of 1111 R FeAsO1 -xFx (R =La , Ce, Sm) iron pnictides is constructed as a function of the local charge distribution in the paramagnetic state, which features low-doping-like (LD-like) and high-doping-like (HD-like) regions. Compounds based on magnetic rare earths (Ce, Sm) display a unified behavior, and comparison with La-based compounds reveals the detrimental role of static iron 3 d magnetism on superconductivity, as well as a qualitatively different evolution of the latter at high doping. It is found that the LD-like regions fully account for the orthorhombicity of the system, and are thus the origin of any static iron magnetism. Orthorhombicity and static magnetism are not hindered by superconductivity but limited by dilution effects, in agreement with two-dimensional (2D) (respectively three-dimensional) nearest-neighbor square lattice site percolation when the rare earth is nonmagnetic (respectively magnetic). The LD-like regions are not intrinsically supportive of superconductivity, contrary to the HD-like regions, as evidenced by the well-defined Uemura relation between the superconducting transition temperature and the superfluid density when accounting for the proximity effect. This leads us to propose a complete description of the interplay of ground states in 1111 pnictides, where nanoscopic regions compete to establish the ground state through suppression of superconductivity by static magnetism, and extension of superconductivity by proximity effect.
Ground State Correlations and the Multiconfiguration Mixing Method
Pillet, N; Van Giai, N; Berger, J F; Giai, Nguyen Van
2004-01-01
We study the convergence properties of a truncation scheme in describing the ground state properties of a many-particle system of fermions. The model wave function is built within a multiconfiguration mixing approach where the many-body wave function is described as a superposition of multiparticle-multihole configurations constructed upon a Slater determinant. The convergence properties of physical quantities such as correlation energies and single-particle occupation probabilities in terms of the increasing number of particle-hole configurations are investigated for the case of an exactly solvable pairing hamiltonian.
Ground-state spin of {sup 59}Mn
Energy Technology Data Exchange (ETDEWEB)
Oinonen, M.; Koester, U.; Aeystoe, J. [CERN, Geneva (Switzerland). EP Div.; Fedoseyev, V.; Mishin, V. [Rossijskaya Akademiya Nauk, Troitsk (Russian Federation). Inst. Spektroskopii; Huikari, J.; Jokinen, A.; Nieminen, A.; Peraejaervi, K. [Jyvaeskylae Univ. (Finland). Dept. of Physics; Knipper, A.; Walter, G. [Institute de Recherches Subatomiques, 67 - Strasbourg (France)
2001-02-01
Beta-decay of {sup 59}Mn has been studied at PSB-ISOLDE, CERN. The intense and pure Mn beam was produced using the Resonance Ionization Laser Ion Source (RILIS). Based on the measured {beta}-decay rates the ground-state spin and parity are proposed to be J{sup {pi}} = 5/2{sup -}. This result is consistent with the systematic trend of the odd-A Mn nuclei and extends the systematics one step further towards the neutron drip line. (orig.)
Triaxiality near the 110Ru ground state from Coulomb excitation
Doherty, D. T.; Allmond, J. M.; Janssens, R. V. F.; Korten, W.; Zhu, S.; Zielińska, M.; Radford, D. C.; Ayangeakaa, A. D.; Bucher, B.; Batchelder, J. C.; Beausang, C. W.; Campbell, C.; Carpenter, M. P.; Cline, D.; Crawford, H. L.; David, H. M.; Delaroche, J. P.; Dickerson, C.; Fallon, P.; Galindo-Uribarri, A.; Kondev, F. G.; Harker, J. L.; Hayes, A. B.; Hendricks, M.; Humby, P.; Girod, M.; Gross, C. J.; Klintefjord, M.; Kolos, K.; Lane, G. J.; Lauritsen, T.; Libert, J.; Macchiavelli, A. O.; Napiorkowski, P. J.; Padilla-Rodal, E.; Pardo, R. C.; Reviol, W.; Sarantites, D. G.; Savard, G.; Seweryniak, D.; Srebrny, J.; Varner, R.; Vondrasek, R.; Wiens, A.; Wilson, E.; Wood, J. L.; Wu, C. Y.
2017-03-01
A multi-step Coulomb excitation measurement with the GRETINA and CHICO2 detector arrays was carried out with a 430-MeV beam of the neutron-rich 110Ru (t1/2 = 12 s) isotope produced at the CARIBU facility. This represents the first successful measurement following the post-acceleration of an unstable isotope of a refractory element. The reduced transition probabilities obtained for levels near the ground state provide strong evidence for a triaxial shape; a conclusion confirmed by comparisons with the results of beyond-mean-field and triaxial rotor model calculations.
Evidence for the ground-state resonance of 26O
Lunderberg, E; Kohley, Z; Attanayake, H; Baumann, T; Bazin, D; Christian, G; Divaratne, D; Grimes, S M; Haagsma, A; Finck, J E; Frank, N; Luther, B; Mosby, S; Nagy, T; Peaslee, G F; Schiller, A; Snyder, J; Spyrou, A; Strongman, M J; Thoennessen, M
2012-01-01
Evidence for the ground state of the neutron-unbound nucleus 26O was observed for the first time in the single proton-knockout reaction from a 82 MeV/u 27F beam. Neutrons were measured in coincidence with 24O fragments. 26O was determined to be unbound by 150+50-150 keV from the observation of low-energy neutrons. This result agrees with recent shell model calculations based on microscopic two- and three-nucleon forces.
First Observation of Ground State Dineutron Decay: Be16
Spyrou, A.; Kohley, Z.; Baumann, T.; Bazin, D.; Brown, B. A.; Christian, G.; Deyoung, P. A.; Finck, J. E.; Frank, N.; Lunderberg, E.; Mosby, S.; Peters, W. A.; Schiller, A.; Smith, J. K.; Snyder, J.; Strongman, M. J.; Thoennessen, M.; Volya, A.
2012-03-01
We report on the first observation of dineutron emission in the decay of Be16. A single-proton knockout reaction from a 53MeV/u B17 beam was used to populate the ground state of Be16. Be16 is bound with respect to the emission of one neutron and unbound to two-neutron emission. The dineutron character of the decay is evidenced by a small emission angle between the two neutrons. The two-neutron separation energy of Be16 was measured to be 1.35(10) MeV, in good agreement with shell model calculations, using standard interactions for this mass region.
Ground state of a confined Yukawa plasma including correlation effects
Henning, C; Filinov, A; Piel, A; Bonitz, M
2007-01-01
The ground state of an externally confined one-component Yukawa plasma is derived analytically using the local density approximation (LDA). In particular, the radial density profile is computed. The results are compared with the recently obtained mean-field (MF) density profile \\cite{henning.pre06}. While the MF results are more accurate for weak screening, LDA with correlations included yields the proper description for large screening. By comparison with first-principle simulations for three-dimensional spherical Yukawa crystals we demonstrate that both approximations complement each other. Together they accurately describe the density profile in the full range of screening parameters.
Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.
Constantinides, Christos P; Zissimou, Georgia A; Berezin, Andrey A; Ioannou, Theodosia A; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C; Koutentis, Panayiotis A
2015-08-21
Tetraphenylhexaazaanthracene, TPHA-1, is a fluorescent zwitterionic biscyanine with a closed-shell singlet ground state. TPHA-1 overcomes its weak 16π antiaromaticity by partitioning its π system into 6π positive and 10π negative cyanines. The synthesis of TPHA-1 is low yielding and accompanied by two analogous TPHA isomers: the deep red, non-charge-separated, quinoidal TPHA-2, and the deep green TPHA-3 that partitions into two equal but oppositely charged 8π cyanines. The three TPHA isomers are compared.
Ground state hyperfine splitting of high Z hydrogenlike ions
Shabaev, V M; Kühl, T; Artemiev, A N; Yerokhin, V A
1997-01-01
The ground state hyperfine splitting values of high Z hydrogenlike ions are calculated. The relativistic, nuclear and QED corrections are taken into account. The nuclear magnetization distribution correction (the Bohr-Weisskopf effect) is evaluated within the single particle model with the g_{S}-factor chosen to yield the observed nuclear moment. An additional contribution caused by the nuclear spin-orbit interaction is included in the calculation of the Bohr-Weisskopf effect. It is found that the theoretical value of the wavelength of the transition between the hyperfine splitting components in ^{165}Ho^{66+} is in good agreement with experiment.
Photoabsorption by ground-state alkali-metal atoms.
Weisheit, J. C.
1972-01-01
Principal-series oscillator strengths and ground-state photoionization cross sections are computed for sodium, potassium, rubidium, and cesium. The degree of polarization of the photoelectrons is also predicted for each atom. The core-polarization correction to the dipole transition moment is included in all of the calculations, and the spin-orbit perturbation of valence-p-electron orbitals is included in the calculations of the Rb and Cs oscillator strengths and of all the photoionization cross sections. The results are compared with recent measurements.
Ground- and excited-state impurity bands in quantum wells
Ghazali, A.; Gold, A.; Serre, J.
1989-02-01
The density of states and the spectral density of electrons in quantum wells with charged impurities are calculated with use of a multiple-scattering method. The impurity-density-dependent broadening and the gradual merging of the ground (1s) and excited (2p+/-,2s) impurity levels into impurity bands are investigated. At low density the shapes of the 1s, 2p+/-, and 2s spectral densities are found to be in excellent agreement with the analytical results obtained for the ideal two-dimensional Coulomb problem.
Universal crossover from ground-state to excited-state quantum criticality
Kang, Byungmin; Potter, Andrew C.; Vasseur, Romain
2017-01-01
We study the nonequilibrium properties of a nonergodic random quantum chain in which highly excited eigenstates exhibit critical properties usually associated with quantum critical ground states. The ground state and excited states of this system belong to different universality classes, characterized by infinite-randomness quantum critical behavior. Using strong-disorder renormalization group techniques, we show that the crossover between the zero and finite energy density regimes is universal. We analytically derive a flow equation describing the unitary dynamics of this isolated system at finite energy density from which we obtain universal scaling functions along the crossover.
Analysis of English Complex Sentences based on Figure-Ground Theory
Institute of Scientific and Technical Information of China (English)
侯皓
2015-01-01
English is a language featuring its complex sentences composed of main and sub-ordinate clauses. The subordinate clause conveys the unifnished messages in main clause and it becomes quite complicated. English complex sentence is a fair impor-tant sentence type and also of importance in English teaching. Analyzing complex sentence based on Figure-Ground Theory, especially the Adverbial Clause, is help-ful to learn English and translate it. The Figure-Ground Theory originated in psychol-ogy studies and it was introduced in cognitive linguistics to explain some language phenomena. From Figure-Ground perspective, the essay studies attributive clause, adverbial clause and nominal clause and some critical sentence types have been analyzed carefully and the major ifnding is Figure-Ground Theory is dynamic not static.
Book Review: Grounded Theory in Perspective: A Lifetime’s Work
Directory of Open Access Journals (Sweden)
Helen Scott
2017-06-01
Full Text Available The grounded theory general method of research was Glaser and Strauss’ response to the problem of “superthink”: the generation of hypotheses in the field of sociology without recourse to data. Glaser and Strauss observed that since such hypotheses were of little relevance, pursuing them wasted resources and had fateful impact on young researchers’ careers. Glaser and Strauss preferred to ground their hypotheses in data that was from the field and was of relevance to their participants. The resultant development of the grounded theory method to maturity has taken decades of dedicated, scholarly endeavour. Glaser explains and examples how this has been achieved in his new book: The grounded theory perspective: Its origins and growth.
"Putting My Man Face on": A Grounded Theory of College Men's Gender Identity Development
Edwards, Keith E.; Jones, Susan R.
2009-01-01
The theory that emerged from this constructivist grounded theory study of 10 college men's experiences depicts their gender identity as developed through constant interaction with society's expectations of them as men. In order to try to meet these perceived expectations, participants described putting on a performance that was like wearing a mask…
Scheela, Rochelle A.
1992-01-01
Conducted grounded theory study to explore incest offender perceptions of treatment to generate explanatory theory of sexual abuse treatment process. Findings from theoretical sampling of 20 adult male incest offenders revealed that offenders felt remodeling process occurred as they faced discovery of their abuse and went through treatment.…
Common Ground of Two Paradigms: Incorporating Critical Theory into Current Art Therapy Practices
Nolan, Emily
2013-01-01
Clinical art therapy and studio-based community art therapy represent two major paradigms in art therapy practice. This viewpoint explores how critical theory can be incorporated into both paradigms and result in common ground between them. Critical theory encompasses an understanding of oppression in psychological, social, and cultural contexts…
A Grounded Theory of Western-Trained Asian Group Leaders Leading Groups in Asia
Taephant, Nattasuda; Rubel, Deborah; Champe, Julia
2015-01-01
This grounded theory research explored the experiences of Western-trained Asian group leaders leading groups in Asia. A total of 6 participants from Japan, Taiwan, and Thailand were interviewed 3 times over 9 months. The recursive process of data collection and analysis yielded substantive theory describing the participants' process of reconciling…
A Grounded Theory of Western-Trained Asian Group Leaders Leading Groups in Asia
Taephant, Nattasuda; Rubel, Deborah; Champe, Julia
2015-01-01
This grounded theory research explored the experiences of Western-trained Asian group leaders leading groups in Asia. A total of 6 participants from Japan, Taiwan, and Thailand were interviewed 3 times over 9 months. The recursive process of data collection and analysis yielded substantive theory describing the participants' process of reconciling…
Common Ground of Two Paradigms: Incorporating Critical Theory into Current Art Therapy Practices
Nolan, Emily
2013-01-01
Clinical art therapy and studio-based community art therapy represent two major paradigms in art therapy practice. This viewpoint explores how critical theory can be incorporated into both paradigms and result in common ground between them. Critical theory encompasses an understanding of oppression in psychological, social, and cultural contexts…
R. de Korte (Ronald); G.J. van der Pijl (Gert)
2009-01-01
textabstractPurpose The purpose of the paper is to present a theory of organisational change within the setting of a governmental bureaucracy. Design/methodology/ approach Orthodox grounded theory is employed in the setting of a change programme in 12 Audit departments of the Dutch Ministries (publi
Culturally Responsive Teaching in the Context of Mathematics: A Grounded Theory Case Study
Bonner, Emily P.; Adams, Thomasenia L.
2012-01-01
In this grounded theory case study, four interconnected, foundational cornerstones of culturally responsive mathematics teaching (CRMT), communication, knowledge, trust/relationships, and constant reflection/revision, were systematically unearthed to develop an initial working theory of CRMT that directly informs classroom practice. These…
A Grounded Theory of Western-Trained Asian Group Leaders Leading Groups in Asia
Taephant, Nattasuda; Rubel, Deborah; Champe, Julia
2015-01-01
This grounded theory research explored the experiences of Western-trained Asian group leaders leading groups in Asia. A total of 6 participants from Japan, Taiwan, and Thailand were interviewed 3 times over 9 months. The recursive process of data collection and analysis yielded substantive theory describing the participants' process of…
Bresciani, Marilee J.
2011-01-01
The purpose of this grounded theory study was to identify the typical barriers encountered by faculty and administrators when implementing outcomes-based assessment program review. An analysis of interviews with faculty and administrators at nine institutions revealed a theory that faculty and administrators' promotion, tenure (if applicable),…
Baneck, Timothy M.
2012-01-01
The purpose of this study was to generate a theory that explained the beliefs and behaviors of participants from business, not-for-profit business, education, and government sectors when resolving the employability skills gap. Classical grounded theory was the inductive methodology applied to this study. The New North, an 18 county region located…
Study of some electronics properties of new superconductor Sr2VO3FeAs in ground state
Directory of Open Access Journals (Sweden)
M Majidiyan
2010-09-01
Full Text Available In this paper, some electronics properties of new superconductor Sr2VO3FeAs, such as density of states, band structure, density of electron cloud and bound lengths in the ground state have been calculated. According to N(Ef in ground state CV/T value has been estimated. The calculations were performed in the framework of density functional theory (DFT, using the full potential linearized augmented plane wave (FP-LAPW method with the general gradient approximation (GGA.
A Lifespan Perspective on Cooperative Education Learning: A Grounded Theory
Linn, Patricia
2015-01-01
This qualitative study sits at the intersection of two trends in vocational education. The first trend is a narrative approach to understanding cooperative education learning; the second is a movement away from career development theories toward the view that individuals use work experiences to help construct their lives. Both trends view learning…
Scanning The Business Environment For Information: a Grounded Theory approach
Directory of Open Access Journals (Sweden)
Zita Correia
1997-01-01
Full Text Available This paper summarizes the principal findings of research that sought to provide a comprehensive understanding of the environmental scanning process. The methodology used was of major importance in obtaining data that are grounded largely in the personal experience of managers, but also in documentary evidence and in direct observation by the researcher. The purpose of the study was to investigate how managers in the Portuguese chemical industry scan their environment for information, what are the contextual factors that affect this activity, and also how managers' perceptions of environmental change affect the strategic change they implement.
Uniqueness of ground states of some coupled nonlinear Schrodinger systems and their application
MA,LI; Lin ZHAO
2007-01-01
We establish the uniqueness of ground states of some coupled nonlinear Schrodinger systems in the whole space. We firstly use Schwartz symmetrization to obtain the existence of ground states for a more general case. To prove the uniqueness of ground states, we use the radial symmetry of the ground states to transform the systems into an ordinary differential system, and then we use the integral forms of the system. More interestingly, as an application of our uniqueness results, we derive a s...
Ground-state charge transfer as a mechanism for surface-enhanced Raman scattering
Lippitsch, Max E.
1984-03-01
A model is presented for the contribution of ground-state charge transfer between a metal and adsorbate to surface-enhanced Raman scattering (SERS). It is shown that this contribution can be understood using the vibronic theory for calculating Raman intensities. The enhancement is due to vibronic coupling of the molecular ground state to the metal states, the coupling mechanism being a modulation of the ground-state charge-transfer energy by the molecular vibrations. An analysis of the coupling operator gives the selection rules for this process, which turn out to be dependent on the overall symmetry of the adsorbate-metal system, even if the charge transfer is small enough for the symmetry of the adsorbate to remain the same as that of the free molecule. It is shown that the model can yield predictions on the properties of SERS, e.g., specificity to adsorption geometry, appearance of forbidden bands, dependence on the applied potential, and dependence on the excitation wavelength. The predictions are in good agreement with experimental results. It is also deduced from this model that in many cases atomic-scale roughness is a prerequisite for the observation of SERS. A result on the magnitude of the enhancement can only be given in a crude approximation. Although in most cases an additional electromagnetic enhancement seems to be necessary to give an observable signal, this charge-transfer mechanism should be important in many SERS systems.
Charge transfer to ground-state ions produces free electrons
You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K.
2017-01-01
Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne-Kr mixed clusters.
Charge transfer to ground-state ions produces free electrons
You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K
2017-01-01
Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne–Kr mixed clusters. PMID:28134238
Eigenvectors in the superintegrable model II: ground-state sector
Energy Technology Data Exchange (ETDEWEB)
Au-Yang, Helen; Perk, Jacques H H [Department of Physics, Oklahoma State University, 145 Physical Sciences, Stillwater, OK 74078-3072 (United States)], E-mail: helenperk@yahoo.com, E-mail: perk@okstate.edu
2009-09-18
In 1993, Baxter gave 2{sup m{sub Q}} eigenvalues of the transfer matrix of the N-state superintegrable chiral Potts model with the spin-translation quantum number Q, where m{sub Q} = lfloor(NL - L - Q)/Nrfloor. In our previous paper we studied the Q = 0 ground-state sector, when the size L of the transfer matrix is chosen to be a multiple of N. It was shown that the corresponding {tau}{sub 2} matrix has a degenerate eigenspace generated by the generators of r = m{sub 0} simple sl{sub 2} algebras. These results enable us to express the transfer matrix in the subspace in terms of these generators E{sup {+-}}{sub m} and H{sub m} for m = 1, ..., r. Moreover, the corresponding 2{sup r} eigenvectors of the transfer matrix are expressed in terms of rotated eigenvectors of H{sub m}.
Shifting Ground(s): Surveying the contested terrain of LGBT studies and queer theory.
Lovaas, Karen E; Elia, John P; Yep, Gust A
2006-01-01
While queer theory initially grew out of lesbian, gay, bisexual, and transgender (LGBT) studies, there are numerous points of contestation between these two approaches, originating mostly from their disparate positions on (sexual) identity politics. To describe, analyze, and contextualize this contested terrain, we begin this piece by providing some historical notes on LGBT studies and queer theory. Next, we turn to an explication of some enduring tensions to identify the criticisms generated by LGBT scholars toward queer theory approaches and vice versa. What follows is our rationale for producing LGBT Studies and Queer Theory: New Conflicts, Collaborations, and Contested Terrain. In this section we discuss how this project originated and the specific objectives we hope this volume will meet. The contributions of the individual articles in this volume are identified and summarized next. Finally, in the context of LGBT studies' and queer theory's similar qualities and points of difference, we offer ideas for potential directions of scholarship in the future that would explore three major areas: identity and difference; community and community organizing; and political engagement and social change.
Ground state for CH2 and symmetry for methane decomposition
Institute of Scientific and Technical Information of China (English)
Zhang Li; Luo Wen-Lang; Ruan Wen; Jiang Gang; Zhu Zheng-He
2008-01-01
Using the different level of methods B3P86, BLYP, B3PW91, HF, QCISD, CASSCF (4,4) and MP2 with the various basis functions 6-311G**, D95, cc-pVTZ and DGDZVP, the calculations of this paper confirm that the ground state is X3B1 with C2v group for CH2. Furthermore, the three kinds of theoretical methods, I.e. B3P86, CCSD(T, MP4) and G2 with the same basis set cc-pVTZ only are used to recalculate the zero-point energy revision which are modified by scaling factor 0.989 for the high level based on the virial theorem, and also with the correction for basis set superposition error. These results are also contrary to X3Σ-g for the ground state of CH2 in reference. Based on the atomic and molecular reaction statics, this paper proves that the decomposition type (1) I.e. CH4→CH2+H2, is forbidden and the decomposition type (2) I.e. CH4→CH3+H is allowed for CH4. This is similar to the decomposition of SiH4.
Ground-state electronic structure of actinide monocarbides and mononitrides
DEFF Research Database (Denmark)
Petit, Leon; Svane, Axel; Szotek, Z.
2009-01-01
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually...... increasing degree of f electron localization from U to Cm, with the tendency toward localization being slightly stronger in the (more ionic) nitrides compared to the (more covalent) carbides. The itinerant band picture is found to be adequate for UC and acceptable for UN, while a more complex manifold...... of competing localized and delocalized f-electron configurations underlies the ground states of NpC, PuC, AmC, NpN, and PuN. The fully localized 5f-electron configuration is realized in CmC (f7), CmN (f7), and AmN (f6). The observed sudden increase in lattice parameter from PuN to AmN is found to be related...
On the nature of the oligoacene ground state
Hachmann, Johannes; Dorando, Jonathan; Aviles, Michael; Kin-Lic Chan, Garnet
2007-03-01
The nature of the oligoacene ground state - its spin, singlet-triplet gap, and diradical character as a function of chain-length - is a question of ongoing theoretical and experimental interest with notable technological implications. Previous computational studies have given inconclusive answers to this challenging electronic structure problem (see e.g. [1]). In the present study we exploit the capabilities of the local ab initio Density Matrix Renormalization Group (DMRG) [2], which allows the numerically exact (FCI) solution of the Schr"odinger equation in a chosen 1-particle basis and active space for quasi-one-dimensional systems. We compute the singlet-triplet gap from first principles as a function of system length ranging from naphthalene to tetradecacene, correlating the full π-space (i.e. up to 58 electrons in 58 orbitals) and converging the results to a few μEh accuracy [3]. In order to study the diradical nature of the oligoacene ground state we calculate expectation values over different diradical occupation and pair-correlation operators. Furthermore we study the natural orbitals and their occupation. [1] Bendikov, Duong, Starkey, Houk, Carter, Wudl, JACS 126 (2004), 7416. [2] Hachmann, Cardoen, Chan, JCP 125 (2006), 144101. [3] Hachmann, Dorando, Avil'es, Chan, in preparation.
Evans-Agnew, Robin A; Boutain, Doris M; Rosemberg, Marie-Anne S
Photovoice is a powerful research method that employs participant photography for advancing voice, knowledge, and transformative change among groups historically or currently marginalized. Paradoxically, this research method risks exploitation of participant voice because of weak methodology to method congruence. The purposes of this retrospective article are to revisit current interdisciplinary research using photovoice and to suggest how to advance photovoice by improving methodology-method congruence. Novel templates are provided for improving the photovoice process across phenomenological, grounded theory, and critical theory methodologies.
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.
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.
The ground state of the D=11 supermembrane and matrix models on compact regions
Boulton, L; Restuccia, A
2015-01-01
We establish a general framework for the analysis of boundary value problems at zero energy of matrix models on compact regions. This allows us to prove existence and uniqueness of ground state wavefunctions for the mass operator of the D=11 regularized supermembrane theory (and therefore the N=16 supersymmetric matrix model) on a ball of finite radius. Our results rely on the structure of the associated Dirichlet form and a factorization in terms of the supersymmetric charges. They also rely on the polynomial structure of the potential and various other supersymmetric properties of the system.
Quantum Cohesion Oscillation of Electron Ground State in Low Temperature Laser Plasma
Zhao, Qingxun; Zhang, Ping; Dong, Lifang; Zhang, Kaixi
1996-01-01
The development of radically new technological and economically efficient methods for obtaining chemical products and for producing new materials with specific properties requires the study of physical and chemical processes proceeding at temperature of 10(exp 3) to 10(exp 4) K, temperature range of low temperature plasma. In our paper, by means of Wigner matrix of quantum statistical theory, a formula is derived for the energy of quantum coherent oscillation of electron ground state in laser plasma at low temperature. The collective behavior would be important in ion and ion-molecule reactions.
Auditory Power-Law Activation Avalanches Exhibit a Fundamental Computational Ground State
Stoop, Ruedi; Gomez, Florian
2016-07-01
The cochlea provides a biological information-processing paradigm that we are only beginning to understand in its full complexity. Our work reveals an interacting network of strongly nonlinear dynamical nodes, on which even a simple sound input triggers subnetworks of activated elements that follow power-law size statistics ("avalanches"). From dynamical systems theory, power-law size distributions relate to a fundamental ground state of biological information processing. Learning destroys these power laws. These results strongly modify the models of mammalian sound processing and provide a novel methodological perspective for understanding how the brain processes information.
Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field
Institute of Scientific and Technical Information of China (English)
无
2006-01-01
The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within the mean-field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram and the tricritical point are obtained in the transverse field Ω/z J-longitudinal crystal D/zJ field plane. We find that there are the first order-order phase transitions in a very smallrange of D/zJ besides the usual first order-disorder phase transitions and the second order-disorder phase transitions.
The ground state of the D = 11 supermembrane and matrix models on compact regions
Boulton, Lyonell; Garcia del Moral, Maria Pilar; Restuccia, Alvaro
2016-09-01
We establish a general framework for the analysis of boundary value problems of matrix models at zero energy on compact regions. We derive existence and uniqueness of ground state wavefunctions for the mass operator of the D = 11 regularized supermembrane theory, that is the N = 16 supersymmetric SU (N) matrix model, on balls of finite radius. Our results rely on the structure of the associated Dirichlet form and a factorization in terms of the supersymmetric charges. They also rely on the polynomial structure of the potential and various other supersymmetric properties of the system.
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...
Hubbard models with nearly flat bands: Ground-state ferromagnetism driven by kinetic energy
Müller, Patrick; Richter, Johannes; Derzhko, Oleg
2016-04-01
We consider the standard repulsive Hubbard model with a flat lowest-energy band for two one-dimensional lattices (diamond chain and ladder) as well as for a two-dimensional lattice (bilayer) at half filling of the flat band. The considered models do not fall in the class of Mielke-Tasaki flat-band ferromagnets, since they do not obey the connectivity conditions. However, the ground-state ferromagnetism can emerge, if the flat band becomes dispersive. To study this kinetic-energy-driven ferromagnetism we use perturbation theory and exact diagonalization of finite lattices. We find as a typical scenario that small and moderate dispersion may lead to a ferromagnetic ground state for sufficiently large on-site Hubbard repulsion U >Uc , where Uc increases monotonically with the acquired bandwidth. However, we also observe for some specific parameter cases, that (i) ferromagnetism appears at already very small Uc, (ii) ferromagnetism does not show up at all, (iii) the critical on-site repulsion Uc is a nonmonotonic function of the bandwidth, or that (iv) a critical bandwidth is needed to open the window for ground-state ferromagnetism.
Ground state configurations in antiferromagnetic ultrathin films with dipolar anisotropy
Energy Technology Data Exchange (ETDEWEB)
Leon, H., E-mail: hleon@imre.oc.uh.cu [Instituto de Ciencia y Tecnologia de Materiales, Universidad de La Habana, Zapata e/ Mazon y G. Vedado, 10400 La Habana (Cuba)
2013-02-15
The formalism developed in a previous work to calculate the dipolar energy in quasi-two-dimensional crystals with ferromagnetic order is now extended to collinear antiferromagnetic order. Numerical calculations of the dipolar energy are carried out for systems with tetragonally distorted fcc [001] structures, the case of NiO and MnO ultrathin film grown in non-magnetic substrates, where the magnetic phase is a consequence of superexchange and dipolar interactions. The employed approximation allows to demonstrate that dipolar coupling between atomic layers is responsible for the orientation of the magnetization when it differs from the one in a single layer. The ground state energy of a given NiO or MnO film is found to depend not only on the strain, but also on how much the interlayer separation and the 2D lattice constant are changed with respect to the ideal values corresponding to the non-distorted cubic structure. Nevertheless, it is shown that the orientation of the magnetization in the magnetic phase of any of these films is determined by the strain exclusively. A striped phase with the magnetization along the [112{sup Macron }] direction appears as the ground state configuration of NiO and MnO ultrathin films. In films with equally oriented stripes along the layers this magnetic phase is twofold degenerate, while in films with multidomain layers it is eightfold degenerate. These results are not in contradiction with experimentally observed out-of-plane or in-plane magnetization of striped phases in NiO and MnO ultrathin films. - Highlights: Black-Right-Pointing-Pointer Dipolar energy in collinear antiferromagnetic ultrathin films is calculated. Black-Right-Pointing-Pointer Numerical results are presented for distorted fcc [001] structures. Black-Right-Pointing-Pointer The lowest energy of a system depends on how the tetragonal distortion is achieved. Black-Right-Pointing-Pointer A striped phase with magnetization in the [112{sup Macron }] direction is the
Linking the Intercultural and Grounded Theory: Methodological Issues in Migration Research
Directory of Open Access Journals (Sweden)
Vera Sheridan
2009-01-01
Full Text Available Connecting intercultural research with Grounded Theory was advocated in the early history of intercultural theorising and includes the development of researchers' intercultural competencies. Such competency comes to the fore where intercultural theory places an equal emphasis on home and host cultures in migration research. In this context we have found a Grounded Theory approach particularly suitable for disentangling complex interlinkings within migration experiences and their individual outcomes. Grounded Theory allows for the exploration of various theories in different fields and the emergence of new or deeper interpretations of intercultural experiences, including where research has not engaged deeply with or avoided intercultural contexts. The use of software, based on Grounded Theory, provides the resource for systematically exploring the inter-related nature of data. In addition, engaging in intercultural research, in particular, raises questions around our practice as social science researchers: adherence to ethics guidelines, for instance, can be in some conflict with the relations we build with members of communities whose cultural values, for instance around friendship or trust, impact on the norms of both our own and institutional expectations. This leads to reflection on the relationship with research participants in terms of our own intercultural experiences and position. URN: urn:nbn:de:0114-fqs0901363
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.
Competing ground states of strongly correlated bosons in the Harper-Hofstadter-Mott model
Natu, Stefan S.; Mueller, Erich J.; Das Sarma, S.
2016-06-01
Using an efficient cluster approach, we study the physics of two-dimensional lattice bosons in a strong magnetic field in the regime where the tunneling is much weaker than the on-site interaction strength. We study both the dilute, hard-core bosons at filling factors much smaller than unity occupation per site and the physics in the vicinity of the superfluid-Mott lobes as the density is tuned away from unity. For hard-core bosons, we carry out extensive numerics for a fixed flux per plaquette ϕ =1 /5 and ϕ =1 /3 . At large flux, the lowest-energy state is a strongly correlated superfluid, analogous to He-4, in which the order parameter is dramatically suppressed, but nonzero. At filling factors ν =1 /2 ,1 , we find competing incompressible states which are metastable. These appear to be commensurate density wave states. For small flux, the situation is reversed and the ground state at ν =1 /2 is an incompressible density wave solid. Here, we find a metastable lattice supersolid phase, where superfluidity and density wave order coexist. We then perform careful numerical studies of the physics near the vicinity of the Mott lobes for ϕ =1 /2 and ϕ =1 /4 . At ϕ =1 /2 , the superfluid ground state has commensurate density wave order. At ϕ =1 /4 , incompressible phases appear outside the Mott lobes at densities n =1.125 and n =1.25 , corresponding to filling fractions ν =1 /2 and 1, respectively. These phases, which are absent in single-site mean-field theory, are metastable and have slightly higher energy than the superfluid, but the energy difference between them shrinks rapidly with increasing cluster size, suggestive of an incompressible ground state. We thus explore the interplay between Mott physics, magnetic Landau levels, and superfluidity, finding a rich phase diagram of competing compressible and incompressible states.
Making things right: nurses' experiences with workplace bullying-a grounded theory.
Gaffney, Donna A; Demarco, Rosanna F; Hofmeyer, Anne; Vessey, Judith A; Budin, Wendy C
2012-01-01
While bullying in the healthcare workplace has been recognized internationally, there is still a culture of silence in many institutions in the United States, perpetuating underreporting and insufficient and unproven interventions. The deliberate, repetitive, and aggressive behaviors of bullying can cause psychological and/or physical harm among professionals, disrupt nursing care, and threaten patient safety and quality outcomes. Much of the literature focuses on categories of bullying behaviors and nurse responses. This qualitative study reports on the experiences of nurses confronting workplace bullying. We collected data from the narratives of 99 nurses who completed an open-ended question embedded in an online survey in 2007. A constructivist grounded theory approach was used to analyze the data and shape a theory of how nurses make things right when confronted with bullying. In a four-step process, nurses place bullying in context, assess the situation, take action, and judge the outcomes of their actions. While many nurses do engage in a number of effective yet untested strategies, two additional concerns remain: inadequate support among nursing colleagues and silence and inaction by nurse administrators. Qualitative inquiry has the potential to guide researchers to a greater understanding of the complexities of bullying in the workplace.
Making Things Right: Nurses' Experiences with Workplace Bullying—A Grounded Theory
Gaffney, Donna A.; DeMarco, Rosanna F.; Hofmeyer, Anne; Vessey, Judith A.; Budin, Wendy C.
2012-01-01
While bullying in the healthcare workplace has been recognized internationally, there is still a culture of silence in many institutions in the United States, perpetuating underreporting and insufficient and unproven interventions. The deliberate, repetitive, and aggressive behaviors of bullying can cause psychological and/or physical harm among professionals, disrupt nursing care, and threaten patient safety and quality outcomes. Much of the literature focuses on categories of bullying behaviors and nurse responses. This qualitative study reports on the experiences of nurses confronting workplace bullying. We collected data from the narratives of 99 nurses who completed an open-ended question embedded in an online survey in 2007. A constructivist grounded theory approach was used to analyze the data and shape a theory of how nurses make things right when confronted with bullying. In a four-step process, nurses place bullying in context, assess the situation, take action, and judge the outcomes of their actions. While many nurses do engage in a number of effective yet untested strategies, two additional concerns remain: inadequate support among nursing colleagues and silence and inaction by nurse administrators. Qualitative inquiry has the potential to guide researchers to a greater understanding of the complexities of bullying in the workplace. PMID:22567223
Making Things Right: Nurses' Experiences with Workplace Bullying—A Grounded Theory
Directory of Open Access Journals (Sweden)
Donna A. Gaffney
2012-01-01
Full Text Available While bullying in the healthcare workplace has been recognized internationally, there is still a culture of silence in many institutions in the United States, perpetuating underreporting and insufficient and unproven interventions. The deliberate, repetitive, and aggressive behaviors of bullying can cause psychological and/or physical harm among professionals, disrupt nursing care, and threaten patient safety and quality outcomes. Much of the literature focuses on categories of bullying behaviors and nurse responses. This qualitative study reports on the experiences of nurses confronting workplace bullying. We collected data from the narratives of 99 nurses who completed an open-ended question embedded in an online survey in 2007. A constructivist grounded theory approach was used to analyze the data and shape a theory of how nurses make things right when confronted with bullying. In a four-step process, nurses place bullying in context, assess the situation, take action, and judge the outcomes of their actions. While many nurses do engage in a number of effective yet untested strategies, two additional concerns remain: inadequate support among nursing colleagues and silence and inaction by nurse administrators. Qualitative inquiry has the potential to guide researchers to a greater understanding of the complexities of bullying in the workplace.
The Nurse as Advocate: A Grounded Theory Perspective
Sessler Branden, Pennie
2012-01-01
The nursing profession is entering an exciting time of new professional opportunities. As the United States of America (USA) deals with its health care crisis, nursing is positioned to determine the trajectory of health care and health policy. However, nurses are underrepresented in major forums where they could be change agents on this new path.…
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.
Bainbridge, Roxanne; Whiteside, Mary; McCalman, Janya
2013-02-01
Researchers working with Aboriginal Australian partners are confronted with an array of historical, social, and political complexities which make it difficult to come to theoretical and methodological decisions. In this article, we describe a culturally safe and respectful framework that maintains the intellectual and theoretical rigor expected of academic research. As an Aboriginal woman and two non-Aboriginal women, we discuss the arguments and some of the challenges of using grounded theory methods in Aboriginal Australian contexts, giving examples from our studies of Aboriginal empowerment processes. We argue that the ethics of care and responsibility embedded in Aboriginal research methodologies fit well with grounded theory studies of Aboriginal social processes. We maintain that theory development grounded in data provides useful insights into the processes for raising the health, well-being, and prosperity of Aboriginal Australians.
LABS problem and ground state spin glasses system
Leukhin, A. N.; Bezrodnyi, V. I.; Kozlova, Yu. A.
2016-12-01
In our work we demonstrate the new results of an exhaustive search for optimal binary sequences with minimum peak sidelobe (MPS) up to length N=85. The design problem for law autocorrelation binary sequences (LABS) is a notoriously difficult computational problem which is numbered as the problem number 005 in CSPLib. In statistical physics LABS problem can be interrepted as the energy of N iteracting Ising spins. This is a Bernasconi model. Due to this connection to physics we refer a binary sequence as one-dimensional spin lattice. At this assumption optimal binary sequences by merit factor (MF) criteria are the ground-state spin system without disorder which exhibits a glassy regime.
Ground state structures and properties of small hydrogenated silicon clusters
Indian Academy of Sciences (India)
R Prasad
2003-01-01
We present results for ground state structures and properties of small hydrogenated silicon clusters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two silicon atoms. We find that in the case of a compact and closed silicon cluster hydrogen bonds to the silicon cluster from outside. To understand the structural evolutions and properties of silicon cluster due to hydrogenation, we have studied the cohesive energy and first excited electronic level gap of clusters as a function of hydrogenation. We find that first excited electronic level gap of Si and SiH fluctuates as function of size and this may provide a first principle basis for the short-range potential fluctuations in hydrogenated amorphous silicon. The stability of hydrogenated silicon clusters is also discussed.
Potential Energy Surfaces of Nitrogen Dioxide for the Ground State
Institute of Scientific and Technical Information of China (English)
SHAO Ju-Xiang; ZHU Zheng-He; CHENG Xin-Lu; YANG Xiang-Dong
2007-01-01
The potential energy function of nitrogen dioxide with the C2v symmetry in the ground state is represented using the simplified Sorbie-Murrell many-body expansion function in terms of the symmetry of NO2. Using the potential energy function, some potential energy surfaces of NO2(C2v, X2A1), such as the bond stretching contour plot for a fixed equilibrium geometry angle θ and contour for O moving around N-O (R1), in which R1 is fixed at the equilibrium bond length, are depicted. The potential energy surfaces are analysed. Moreover, the equilibrium parameters for NO2 with the C2v, Cs and D8h symmetries, such as equilibrium geometry structures and energies, are calculated by the ab initio (CBS-Q) method.
Sympathetic cooling of molecular ion motion to the ground state
Rugango, Rene; Dixon, Thomas H; Gray, John M; Khanyile, Ncamiso; Shu, Gang; Clark, Robert J; Brown, Kenneth R
2014-01-01
We demonstrate sympathetic sideband cooling of a $^{40}$CaH$^{+}$ molecular ion co-trapped with a $^{40}$Ca$^{+}$ atomic ion in a linear Paul trap. Both axial modes of the two-ion chain are simultaneously cooled to near the ground state of motion. The center of mass mode is cooled to an average quanta of harmonic motion $\\overline{n}_{\\mathrm{COM}} = 0.13 \\pm 0.03$, corresponding to a temperature of $12.47 \\pm 0.03 ~\\mu$K. The breathing mode is cooled to $\\overline{n}_{\\mathrm{BM}} = 0.05 \\pm 0.02$, corresponding to a temperature of $15.36 \\pm 0.01~\\mu$K.
Ground-state properties of neutron magic nuclei
Energy Technology Data Exchange (ETDEWEB)
Saxena, G., E-mail: gauravphy@gmail.com [Govt. Women Engineering College, Department of Physics (India); Kaushik, M. [Shankara Institute of Technology, Department of Physics (India)
2017-03-15
A systematic study of the ground-state properties of the entire chains of even–even neutron magic nuclei represented by isotones of traditional neutron magic numbers N = 8, 20, 40, 50, 82, and 126 has been carried out using relativistic mean-field plus Bardeen–Cooper–Schrieffer approach. Our present investigation includes deformation, binding energy, two-proton separation energy, single-particle energy, rms radii along with proton and neutron density profiles, etc. Several of these results are compared with the results calculated using nonrelativistic approach (Skyrme–Hartree–Fock method) along with available experimental data and indeed they are found with excellent agreement. In addition, the possible locations of the proton and neutron drip-lines, the (Z, N) values for the new shell closures, disappearance of traditional shell closures as suggested by the detailed analyzes of results are also discussed in detail.
The Potential Energy Surface for the Electronic Ground State of H 2Se Derived from Experiment
Jensen, P.; Kozin, I. N.
1993-07-01
The present paper reports a determination of the potential energy surface for the electronic ground state of the hydrogen selenide molecule through a direct least-squares fitting to experimental data using the MORBID (Morse oscillator rigid bender internal dynamics) approach developed by P. Jensen [ J. Mol. Spectrosc.128, 478-501 (1988); J. Chem. Soc. Faraday Trans. 284, 1315-1340 (1988)]. We have fitted a selection of 303 rotation-vibration energy spacings of H 280Se, D 280Se, and HD 80Se involving J ≤ 5 with a root-mean-square deviation of 0.0975 cm -1 for the rotational energy spacings and 0.268 cm -1 for the vibrational spacings. In the fitting, 14 parameters were varied. On the basis of the fitted potential surface we have studied the cluster effect in the vibrational ground state of H 2Se, i.e., the formation of nearly degenerate, four-member groups of rotational energy levels [see I. N. Kozin, S. Klee, P. Jensen, O. L. Polyansky, and I. M. Pavlichenkov. J. Mol. Spectrosc., 158, 409-422 (1993), and references therein]. The cluster formation becomes more pronounced with increasing J. For example, four-fold clusters formed in the vibrational ground state of H 280Se at J = 40 are degenerate to within a few MHz. Our predictions of the D 280Se energy spectrum show that for this molecule, the cluster formation is displaced towards higher J values than arc found for H 280Se. In the vibrational ground state, the qualitative deviation from the usual rigid rotor picture starts at J = 12 for H 280Se and at J = 18 for D 280Se, in full agreement with predictions from semiclassical theory. An interpretation of the cluster eigenstates is discussed.
"Emergence" vs. "Forcing" of Empirical Data? A Crucial Problem of "Grounded Theory" Reconsidered
Directory of Open Access Journals (Sweden)
Udo Kelle
2005-05-01
Full Text Available Since the late 1960s Barney GLASER and Anselm STRAUSS, developers of the methodology of "Grounded Theory" have made several attempts to explicate, clarify and reconceptualise some of the basic tenets of their methodological approach. Diverging concepts and understandings of Grounded Theory have arisen from these attempts which have led to a split between its founders. Much of the explication and reworking of Grounded Theory surrounds the relation between data and theory and the role of previous theoretical assumptions. The book which initially established the popularity of GLASER's and STRAUSS' methodological ideas, "The Discovery of Grounded Theory", contains two conflicting understandings of the relation between data and theory—the concept of "emergence" on the one hand and the concept of "theoretical sensitivity" on the other hand. Much of the later developments of Grounded Theory can be seen as attempts to reconcile these prima facie diverging concepts. Thereby GLASER recommends to draw on a variety of "coding families" while STRAUSS proposes the use of a general theory of action to build an axis for an emerging theory. This paper first summarises the most important developments within "Grounded Theory" concerning the understanding of the relation between empirical data and theoretical statements. Thereby special emphasis will be laid on differences between GLASER's and STRAUSS' concepts and on GLASER's current critique that the concepts of "coding paradigm" and "axial coding" described by STRAUSS and Juliet CORBIN lead to the "forcing" of data. It will be argued that GLASER's critique points out some existing weaknesses of STRAUSS' concepts but vastly exaggerates the risks of the STRAUSSian approach. A main argument of this paper is that basic problems of empirically grounded theory construction can be treated much more effectively if one draws on certain results of contemporary philosophical and epistemological discussions and on widely
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 ...
Ground States and Excited States in a Tunable Graphene Quantum Dot
Institute of Scientific and Technical Information of China (English)
WANG Lin-Jun; CAO Gang; TU Tao; LI Hai-Ou; ZHOU Cheng; HAO Xiao-Jie; GUO Guang-Can; GUO Guo-Ping
2011-01-01
We prepare an etched gate tunable quantum dot in single-layer graphene and present transport measurement in this system. We extract the information of the ground states and excited states of the graphene quantum dot, as denoted by the presence of characteristic Coulomb blockade diamond diagrams. The results demonstrate that the quantum dot in single-layer graphene bodes well in future quantum transport study and quantum computing applications.%@@ We prepare an etched gate tunable quantum dot in single-layer graphene and present transport measurement in this system.We extract the information of the ground states and excited states of the graphene quantum dot, as denoted by the presence of characteristic Coulomb blockade diamond diagrams.The results demonstrate that the quantum dot in single-layer graphene bodes well in future quantum transport study and quantum computing applications.
DEFF Research Database (Denmark)
Reynisson, J.; Wilbrandt, R.; Brinck, V.
2002-01-01
of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...
DEFF Research Database (Denmark)
Berthelsen, Connie Bøttcher; Lindhardt Damsgaard, Tove; Frederiksen, Kirsten
2016-01-01
researchers to experience activities and interactions directly in situ. However, using participant observations as a data collection method can be done in many ways, depending on the chosen grounded theory methodology, and may produce different results. This discussion shows that how the differences between......This paper presents a discussion of the differences in using participant observation as a data collection method by comparing the classic grounded theory methodology of Barney Glaser with the constructivist grounded theory methodology by Kathy Charmaz. Participant observations allow nursing...... using participant observations in classic and constructivist grounded theory can be considerable and that grounded theory researchers should adhere to the method descriptions of performing participant observations according to the selected grounded theory methodology to enhance the quality of research....
Berthelsen, Connie Bøttcher; Lindhardt, Tove; Frederiksen, Kirsten
2016-05-10
This paper presents a discussion of the differences in using participant observation as a data collection method by comparing the classic grounded theory methodology of Barney Glaser with the constructivist grounded theory methodology by Kathy Charmaz. Participant observations allow nursing researchers to experience activities and interactions directly in situ. However, using participant observations as a data collection method can be done in many ways, depending on the chosen grounded theory methodology, and may produce different results. This discussion shows that how the differences between using participant observations in classic and constructivist grounded theory can be considerable and that grounded theory researchers should adhere to the method descriptions of performing participant observations according to the selected grounded theory methodology to enhance the quality of research.
Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach
Directory of Open Access Journals (Sweden)
Marta Borrajo
2017-01-01
Full Text Available We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit consideration of the triaxial deformation parameters in a projection after variation method, together with the use of the finite-range density-dependent Gogny force, provides an excellent tool for the description of odd–even and even–even nuclei. We apply the theory to the Magnesium isotopic chain and obtain an outstanding description of the ground-state properties, in particular binding energies, odd–even mass differences, mass radii and electromagnetic moments among others.
Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach
Borrajo, Marta
2016-01-01
We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit consideration of the triaxial deformation parameters in a projection after variation method, together with the use of the finite-range density-dependent Gogny force, provides an excellent tool for the description of odd-even and even-even nuclei. We apply the theory to the Magnesium isotopic chain and obtain an outstanding description of the ground-state properties, in particular binding energies, odd-even mass differences, mass radii and electromagnetic moments among others.
Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach
Borrajo, Marta; Egido, J. Luis
2017-01-01
We present a self-consistent theory for odd nuclei with exact blocking and particle number and angular momentum projection. The demanding treatment of the pairing correlations in a variation-after-projection approach as well as the explicit consideration of the triaxial deformation parameters in a projection after variation method, together with the use of the finite-range density-dependent Gogny force, provides an excellent tool for the description of odd-even and even-even nuclei. We apply the theory to the Magnesium isotopic chain and obtain an outstanding description of the ground-state properties, in particular binding energies, odd-even mass differences, mass radii and electromagnetic moments among others.
Breaking Ground: A Study of Gestalt Therapy Theory and Holland's Theory of Vocational Choice.
Hartung, Paul J.
In both Gestalt therapy and Holland's theory of vocational choice, person-environment interaction receives considerable emphasis. Gestalt therapy theory suggests that people make contact (that is, meet needs) through a characteristic style of interacting with the environment. Holland identifies six personality types in his theory and asserts that…
State estimators for tracking sharply-maneuvering ground targets
Visina, Radu S.; Bar-Shalom, Yaakov; Willett, Peter
2017-05-01
This paper presents an algorithm, based on the Interacting Multiple Model Estimator, that can be used to track the state of kinematic point targets, moving in two dimensions, that are capable of making sharp heading maneuvers over short periods of time, such as certain ground vehicles moving in an open field. The targets are capable of up to 60 °/s turn rates, while polar measurements are received at 1 Hz. We introduce the Non-Zero Mean, White Noise Turn-Rate IMM (IMM-WNTR) that consists of 3 modes based on a White Noise Turn Rate (WNTR) kinematic model that contains additive, white, Gaussian turn rate process noises. Two of the modes are considered maneuvering modes, and they have opposite (left/right), non-zero mean turn rate input noise. The need for non-zero mean turn rate process noise is explained, and Monte Carlo simulations compare this novel design to the traditional (single-mode) White Noise Acceleration Kalman Filter (WNA KF) and the two-mode White Noise Acceleration/Nearly-Coordinated Turn Rate IMM (IMM-CT). Results show that the IMM-WNTR filter achieves better accuracy and real-time consistency between expected error and actual error as compared to the (single-mode) WNA KF and the IMM-CT in all simulated scenarios, making it a very accurate state estimator for targets with sharp coordinated turn capability in 2D.
Zero-Point Fluctuations in the Nuclear Born-Oppenheimer Ground State
Zettili, Nouredine
The small-amplitude oscillations of rigid nuclei around the equilibrium state are described by means of the nuclear Born-Oppenheimer (NBO) method. In this limit, the method is shown to give back the random phase approximation (RPA) equations of motion. The contribution of the zero-point fluctuations to the ground state are examined, and the NBO ground state energy derived is shown to be identical to the RPA ground state energy.
Four types of coping with COPD-induced breathlessness in daily living: a grounded theory study
DEFF Research Database (Denmark)
Bastrup, Lene; Dahl, Ronald; Pedersen, Preben Ulrich
2013-01-01
COPD predominantly cope with breathlessness during daily living. We chose a multimodal grounded theory design that holds the opportunity to combine qualitative and quantitative data to capture and explain the multidimensional coping behaviour among poeple with COPD. The participants' main concern...... comprised distrinctive physiological, cognitive, affective and psychosocial features constituting coping-type-specific indicators. In theory, four predominant coping types with distinct physiological, cognitive, affective and psychosocial properties are observed among people with COPD. The four coping types...
Walker, Christine
2008-01-01
The purpose of this grounded theory study was to discover the factors that contribute to the success or failure of college algebra for students taking college algebra by distance education Internet, and then generate a theory of success or failure of the group of College Algebra Internet students at one Utah college. Qualitative data were collected and analyzed on students’ perceptions and perspectives of a College Algebra Internet course that they took during the spring or summer 2006 semest...
The persistence of women in STEM: A constructivist grounded theory study
Gamm, Ryan
Men and women have reached relative parity in most sectors of the United States workforce. Yet women remain underrepresented in science, technology, engineering, and mathematics (STEM) fields (AAUW, 2010). Underrepresentation persists despite several decades of research, legislation, and intervention focused on gender equality in STEM fields (Clewell, 2002). The underrepresentation or shortage of women in STEM fields is identifiable primarily in degree attainment, in workforce demographics, and in a gender wage gap. Situated in constructivist grounded theory, this study asks how do women in science, technology, engineering, and mathematics (STEM) fields, particularly those in established career positions, persist when encountering personal and institutional barriers, resistance, and hostility? I use an interpretive-constructivist lens to conduct a grounded theory study exploring the experiences of women who persist in STEM fields, their relation to extant literature on this topic, and the connections to K-12 education practices, specifically curriculum. To understand the connections to curriculum I employ Pinar's (2012) method of currere. Pinar (2012) contends currere "provides a strategy for students of curriculum to study the relations between academic knowledge and life history in the interests of self-understanding and social reconstruction" (p.44). This qualitative study explored nine female STEM workers stories of persistence as each respondent works in STEM fields were gender parity has yet to be established. This study presents a substantive theory: As women persist in STEM fields they reframe themselves to be situated in the overlapping intersection of the social processes that correspond to "engagement" and "persistence." This reframing is possible by interpreting one's present day circumstances by independently removing oneself from current circumstances to understand the cumulative effect of both past and present. The findings highlight the importance
Probing ground and low-lying excited states for HIO{sub 2} isomers
Energy Technology Data Exchange (ETDEWEB)
Souza, Gabriel L. C. de [Departamento de Química, Universidade Federal de Mato Grosso, Cuiabá, Mato Grosso 78060-900 (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Itacoatiara, Amazonas 69100-000 (Brazil); Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Brown, Alex, E-mail: alex.brown@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)
2014-12-21
We present a computational study on HIO{sub 2} molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10{sup −3})
Probing ground and low-lying excited states for HIO2 isomers
de Souza, Gabriel L. C.; Brown, Alex
2014-12-01
We present a computational study on HIO2 molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10-3).
Huang, Wenxuan; Dacek, Stephen; Rong, Ziqin; Urban, Alexander; Cao, Shan; Luo, Chuan; Ceder, Gerbrand
2016-01-01
Lattice models, also known as generalized Ising models or cluster expansions, are widely used in many areas of science and are routinely applied to alloy thermodynamics, solid-solid phase transitions, magnetic and thermal properties of solids, and fluid mechanics, among others. However, the problem of finding the true global ground state of a lattice model, which is essential for all of the aforementioned applications, has remained unresolved, with only a limited number of results for highly simplified systems known. In this article, we present the first general algorithm to find the exact ground states of complex lattice models and to prove their global optimality, resolving this fundamental problem in condensed matter and materials theory. We transform the infinite-discrete-optimization problem into a pair of combinatorial optimization (MAX-SAT) and non-smooth convex optimization (MAX-MIN) problems, which provide upper and lower bounds on the ground state energy respectively. By systematically converging th...
Barsalou, Lawrence W
2008-01-01
Grounded cognition rejects traditional views that cognition is computation on amodal symbols in a modular system, independent of the brain's modal systems for perception, action, and introspection. Instead, grounded cognition proposes that modal simulations, bodily states, and situated action underlie cognition. Accumulating behavioral and neural evidence supporting this view is reviewed from research on perception, memory, knowledge, language, thought, social cognition, and development. Theories of grounded cognition are also reviewed, as are origins of the area and common misperceptions of it. Theoretical, empirical, and methodological issues are raised whose future treatment is likely to affect the growth and impact of grounded cognition.
Lambe, Catherine I; Hoare, Karen J
2016-01-01
The objective of this study was to explore the perceptions of New Zealand secondary school nurses regarding skin infections in young people aged 14-18 years. A constructivist grounded theory method was adopted. Ten non-structured interviews were conducted with secondary school nurses working in Auckland, New Zealand, between January and July 2013. Interviews were audiotaped, transcribed and analysed using all tenets of grounded theory that included writing memos, theoretical sampling and the constant comparative method. Analysis revealed the core category Maintaining the balance, which is presented as a grounded theory model. It represents the constant state of balancing the school nurse undergoes in trying to counter the risk to the student. The nurse attempts to tip the balance in favour of action, by reducing barriers to healthcare, providing youth-friendly, affordable and accessible healthcare, and following up until resolution is achieved. The nurse is aware that failing to monitor until resolution can again tip the fulcrum back to inaction, placing the young person at risk again. It is concluded that nurses are knowledgeable about the risks present in the communities they serve and are innovative in the methods they employ to ensure satisfactory outcomes for young people experiencing skin infections. School nursing is an evolving model for delivering primary healthcare to young people in New Zealand. The grounded theory model 'Maintaining the balance' describes a model of care where nursing services are delivered where young people spend time, and the nurse is immersed in the community. This model of care may be transferable to other healthcare situations. © 2015 John Wiley & Sons Ltd.
How Robotics Programs Influence Young Women's Career Choices: A Grounded Theory Model
Craig, Cecilia Dosh-Bluhm
2014-01-01
The fields of engineering, computer science, and physics have a paucity of women despite decades of intervention by universities and organizations. Women's graduation rates in these fields continue to stagnate, posing a critical problem for society. This qualitative grounded theory (GT) study sought to understand how robotics programs influenced…
Parker, Elizabeth Cassidy
2014-01-01
The purpose of this grounded theory study was to describe the process of adolescent choral singers' social identity development within three midsized, midwestern high school mixed choirs. Forty-nine interviews were conducted with 36 different participants. Secondary data sources included memoing, observations, and interviews with the choir…
Straw, Eric M.
2013-01-01
The current research used grounded theory methodology (GTM) to construct a conceptualization of personal knowledge within a knowledge management (KM) perspective. The need for the current research was based on the use of just two categories of knowledge, explicit and tacit, within KM literature to explain diverse characteristics of personal…
Studebaker, Eric J.
2012-01-01
The second generation community college employee had not been a target population of any previous research in the field of higher education. This study added to a broader understanding of employees, their various characteristics, and the implications of those characteristics. The purpose of this study was to develop a grounded theory defining the…
Using Grounded Theory to Analyze Qualitative Observational Data that is Obtained by Video Recording
Directory of Open Access Journals (Sweden)
Colin Griffiths
2013-06-01
Full Text Available This paper presents a method for the collection and analysis of qualitative data that is derived by observation and that may be used to generate a grounded theory. Video recordings were made of the verbal and non-verbal interactions of people with severe and complex disabilities and the staff who work with them. Three dyads composed of a student/teacher or carer and a person with a severe or profound intellectual disability were observed in a variety of different activities that took place in a school. Two of these recordings yielded 25 minutes of video, which was transcribed into narrative format. The nature of the qualitative micro data that was captured is described and the fit between such data and classic grounded theory is discussed. The strengths and weaknesses of the use of video as a tool to collect data that is amenable to analysis using grounded theory are considered. The paper concludes by suggesting that using classic grounded theory to analyze qualitative data that is collected using video offers a method that has the potential to uncover and explain patterns of non-verbal interactions that were not previously evident.
How Robotics Programs Influence Young Women's Career Choices: A Grounded Theory Model
Craig, Cecilia Dosh-Bluhm
2014-01-01
The fields of engineering, computer science, and physics have a paucity of women despite decades of intervention by universities and organizations. Women's graduation rates in these fields continue to stagnate, posing a critical problem for society. This qualitative grounded theory (GT) study sought to understand how robotics programs influenced…
Greenhaus, Karen Larsen
2014-01-01
This qualitative grounded theory study explored teachers' instructional decisions around planning and practice for technology integration after participation in professional development. The purpose of this study was to determine how a long-term hybrid professional development experience influenced, if at all, math teachers' instructional…
Using Grounded Theory to Understand Resiliency in Pre-Teen Children of High-Conflict Families
Pomrenke, Marlene
2007-01-01
Using grounded theory, this study identified factors that contributed to children's ability to utilize their resilient attributes. Children between the ages of 9 and 12 from high-conflict separated or divorced families participated in a study that examined how family and community interactions promote resilient behaviour. Substantive-level theory…
Thompson, Mindi N.; Cole, Odessa D.; Nitzarim, Rachel S.
2012-01-01
The process of psychotherapy among 16 low-income clients was explored using grounded theory (Charmaz, 2006; Glaser & Strauss, 1967) in order to understand and identify their unique experiences and needs. Semistructured interviews were conducted with 12 women and 4 men who had attended at least 6 sessions of psychotherapy within 6 months of the…
Using Popular Media and a Collaborative Approach to Teaching Grounded Theory Research Methods
Creamer, Elizabeth G.; Ghoston, Michelle R.; Drape, Tiffany; Ruff, Chloe; Mukuni, Joseph
2012-01-01
Popular movies were used in a doctoral-level qualitative research methods course as a way to help students learn about how to collect and analyze qualitative observational data in order to develop a grounded theory. The course was designed in such a way that collaboration was central to the generation of knowledge. Using media depictions had the…
Phenomenography and Grounded Theory as Research Methods in Computing Education Research Field
Kinnunen, Paivi; Simon, Beth
2012-01-01
This paper discusses two qualitative research methods, phenomenography and grounded theory. We introduce both methods' data collection and analysis processes and the type or results you may get at the end by using examples from computing education research. We highlight some of the similarities and differences between the aim, data collection and…
Smith, Jennifer L.; Skinner, S. Rachel; Fenwick, Jennifer
2011-01-01
Grounded theory principles were systematically employed to reveal key differences in pregnancy risk and underlying disparities in contraceptive use in (a) never-pregnant (b) pregnant-terminated and (c) pregnant-continued teenagers. Analysis of 69 semistructured interviews revealed a bicausal model of pregnancy protection that accounted for…
Constructing Grounded Theory: Reflections on a Case Study of a Professor of Architectural Design.
Janesick, Valerie J.
1982-01-01
Discusses a case study describing the philosophy of teaching design to architecture students as practiced by one professor. A model of his architectural design curriculum emerged. Three issues arose: constructing theory from data grounded in experience, posing appropriate research questions, and understanding the roots of ethnographic inquiry.…
Barrow, Jennifer Cahoon
2011-01-01
The purpose of this study was to propose a grounded theory that contributed to the understanding of the professional school counselor's role at the secondary school level in working with students in gangs. The study explored the role of the professional school counselor from the first person perspective of the professional school counselor and…
Getting Clean in a Drug Rehabilitation Program in Prison: A Grounded Theory Analysis
Smith, Sharon; Ferguson, Neil
2005-01-01
High-risk drug use is prevalent among UK prison populations (Lipton, 1995) while recovery in prison is both complex and variable. Grounded theory methodology was employed to gain a greater understanding of the perceptions and conceptualisations of "risk," "need" and "motivation" in relation to prisoner drug abusing practices, criminal practices,…
Leading Critically: A Grounded Theory of Applied Critical Thinking in Leadership Studies
Jekins, Daniel M.; Cutchens, Amanda B.
2011-01-01
This study describes the development of a grounded theory of applied critical thinking in leadership studies and examines how student-centered experiential learning in leadership education bridged critical thinking with action. Over three semester undergraduate students in an upper level leadership studies course at a large four-year public…
Making Connections: Grounding Professional Development in the Developmental Theories of Vygotsky
Eun, Barohny
2008-01-01
Professional development is grounded in the developmental theories of Vygotsky in an attempt to better understand the mechanism underlying teacher development. The rationale for the use of Vygotskian framework is provided in the context of describing the various models of professional development. Within this theoretical framework, it is argued…
Fathers' Orientation to Their Children's Autism Diagnosis: A Grounded Theory Study
Hannon, Michael D.; Hannon, LaChan V.
2017-01-01
Sixteen fathers of individuals with autism were interviewed to develop a grounded theory explaining how they learned about their children's autism diagnosis. Results suggest the orientation process entails at least two phases: orienting oneself and orienting others. The orienting oneself phase entailed fathers having suspicion of developmental…
Applying Grounded Theory to Weight Management among Women: Making a Commitment to Healthy Eating
Zunker, Christie; Ivankova, Nataliya
2011-01-01
In this study we developed a theory grounded in data from women who continued healthy eating behaviors after a weight management program. Participant recruitment was guided by theoretical sampling strategies for focus groups and individual interviews. Inclusion criteria were: African American or Caucasian women aged 30+ who lost [greater than or…
Lokkesmoe, Karen Jane
2009-01-01
This qualitative, grounded theory study focuses on global leadership and global leadership development strategies from the perspective of people from three developing countries, Brazil, India, and Nigeria. The study explores conceptualizations of global leadership, the skills required to lead effectively in global contexts, and recommended…
Phenomenography and Grounded Theory as Research Methods in Computing Education Research Field
Kinnunen, Paivi; Simon, Beth
2012-01-01
This paper discusses two qualitative research methods, phenomenography and grounded theory. We introduce both methods' data collection and analysis processes and the type or results you may get at the end by using examples from computing education research. We highlight some of the similarities and differences between the aim, data collection and…
Greenhaus, Karen Larsen
2014-01-01
This qualitative grounded theory study explored teachers' instructional decisions around planning and practice for technology integration after participation in professional development. The purpose of this study was to determine how a long-term hybrid professional development experience influenced, if at all, math teachers' instructional…
Factors Affecting Christian Parents' School Choice Decision Processes: A Grounded Theory Study
Prichard, Tami G.; Swezey, James A.
2016-01-01
This study identifies factors affecting the decision processes for school choice by Christian parents. Grounded theory design incorporated interview transcripts, field notes, and a reflective journal to analyze themes. Comparative analysis, including open, axial, and selective coding, was used to reduce the coded statements to five code families:…
Making Connections: Grounding Professional Development in the Developmental Theories of Vygotsky
Eun, Barohny
2008-01-01
Professional development is grounded in the developmental theories of Vygotsky in an attempt to better understand the mechanism underlying teacher development. The rationale for the use of Vygotskian framework is provided in the context of describing the various models of professional development. Within this theoretical framework, it is argued…
Luckerhoff, Jason; Guillemette, Francois
2011-01-01
The authors examined the conflicts between grounded theory (GT) requirements and institutional requirements for scientific research such as they were experienced by researchers and students. The overview of how GT was originally conceived served as background to the analysis of the problems GT users often faced when they submitted research…
Action Learning and Constructivist Grounded Theory: Powerfully Overlapping Fields of Practice
Rand, Jane
2013-01-01
This paper considers the shared characteristics between action learning (AL) and the research methodology constructivist grounded theory (CGT). Mirroring Edmonstone's [2011. "Action Learning and Organisation Development: Overlapping Fields of Practice." "Action Learning: Research and Practice" 8 (2): 93-102] article, which…
Philosophical Roots of Classical Grounded Theory: Its Foundations in Symbolic Interactionism
Aldiabat, Khaldoun M.; Le Navenec, Carole-Lynne
2011-01-01
Although many researchers have discussed the historical relationship between the Grounded Theory methodology and Symbolic Interactionism, they have not clearly articulated the congruency of their salient concepts and assumptions. The purpose of this paper is to provide a thorough discussion of this congruency. A hypothetical example about smoking…
Straw, Eric M.
2013-01-01
The current research used grounded theory methodology (GTM) to construct a conceptualization of personal knowledge within a knowledge management (KM) perspective. The need for the current research was based on the use of just two categories of knowledge, explicit and tacit, within KM literature to explain diverse characteristics of personal…
Aldiabat, Khaldoun; Le Navenec, Carol-Lynne
2011-01-01
There is confusion among graduate students about how to select the qualitative methodology that best fits their research question. Often this confusion arises in regard to making a choice between a grounded theory methodology and an ethnographic methodology. This difficulty may stem from the fact that these students do not have a clear…
Professional Identity Development: A Grounded Theory of Transformational Tasks of New Counselors
Gibson, Donna M.; Dollarhide, Colette T.; Moss, Julie M.
2010-01-01
Professional identity development is an important professional issue. Examining the lived experiences of counselors-in-training (CITs), the authors used grounded theory methodology to describe the transformational tasks that are required for professional identity development. Tasks include finding a personal definition of counseling, internalizing…
Factors Affecting Christian Parents' School Choice Decision Processes: A Grounded Theory Study
Prichard, Tami G.; Swezey, James A.
2016-01-01
This study identifies factors affecting the decision processes for school choice by Christian parents. Grounded theory design incorporated interview transcripts, field notes, and a reflective journal to analyze themes. Comparative analysis, including open, axial, and selective coding, was used to reduce the coded statements to five code families:…
Residents' Interaction with Their College Living-Learning Peer Mentor: A Grounded Theory
Wylie, Jonathan Patrick
2012-01-01
This study used Strauss and Corbin's (1998) grounded theory model to describe and explain the stories of residents' interactions with their peer mentor, in a health, education, and human development living-learning community (LLC). The question answered in this study was: What is the impact of the interaction between a peer mentor and…
Executive Function and Reading Aptitude: A Grounded Theory Analysis of Teacher Perspectives
Nordman, Jenny
2013-01-01
This qualitative, grounded theory study investigated teacher perspectives on the relationship between executive function and reading aptitude. The influence of executive function may be underestimated in terms of its impact on reading aptitude, which could have significant implications on how reading aptitude is currently defined. The foundational…
A Grounded Theory of Text Revision Processes Used by Young Adolescents Who Are Deaf
Yuknis, Christina
2014-01-01
This study examined the revising processes used by 8 middle school students who are deaf or hard-of-hearing as they composed essays for their English classes. Using grounded theory, interviews with students and teachers in one middle school, observations of the students engaging in essay creation, and writing samples were collected for analysis.…
Namaghi, Seyyed Ali Ostovar; Moghaddam, Mohammad Reza Saboor; Tajzad, Maryam
2014-01-01
The purpose of this study is to explore language teachers' perspectives on Iranian third grade senior high school EFL textbook, which is prescribed by the Ministry of Education. In data collection and analysis, the researchers used theoretical sampling and the coding schemes presented in grounded theory. Final analysis yielded "Negative…
Leading Critically: A Grounded Theory of Applied Critical Thinking in Leadership Studies
Jekins, Daniel M.; Cutchens, Amanda B.
2011-01-01
This study describes the development of a grounded theory of applied critical thinking in leadership studies and examines how student-centered experiential learning in leadership education bridged critical thinking with action. Over three semester undergraduate students in an upper level leadership studies course at a large four-year public…
A Grounded Theory of Collaborative Synchronizing in Relation to Challenging Students
Thornberg, Robert
2012-01-01
The aim of this study was to investigate multiprofessional collaboration as well as collaboration between professionals and challenging students and their parents in which the focus for these collaborations was on handling the challenging students' academic and social behavior. A grounded theory study of collaboration between a prereferral…
Student Affairs Professionals Supporting Students with Disabilities: A Grounded Theory Model
Kimball, Ezekiel; Vaccaro, Annemarie; Vargas, Nadia
2016-01-01
In an action-based grounded theory project, the authors collected data from 31 student affairs professionals. During seven focus groups, practitioners described feeling unknowledgeable about disability law, accommodations, and diagnoses. However, they drew upon their core values and transferrable skills to support individual students. Participants…
Leading Effective Educational Technology in K-12 School Districts: A Grounded Theory
Hill, Lara Gillian C.
2011-01-01
A systematic grounded theory qualitative study was conducted investigating the process of effectively leading educational technology in New Jersey public K-12 school districts. Data were collected from educational technology district leaders (whether formal or non-formal administrators) and central administrators through a semi-structured online…
Parker, Elizabeth Cassidy
2014-01-01
The purpose of this grounded theory study was to describe the process of adolescent choral singers' social identity development within three midsized, midwestern high school mixed choirs. Forty-nine interviews were conducted with 36 different participants. Secondary data sources included memoing, observations, and interviews with the choir…
A Grounded Theory of Counselor Educators Integrating Social Justice into Their Pedagogy
Odegard, Melissa A.; Vereen, Linwood G.
2010-01-01
The topic of social justice has received considerable attention in the counseling literature; however, little empirical research exists. This grounded theory study examined 4 counselor educators' process of integrating social justice constructs into their pedagogy. Data analysis revealed 4 primary experiences that emerged in the participants'…
Williamson, Pamela; Carnahan, Christina R.; Jacobs, Jennifer A.
2012-01-01
Using a constructivist grounded theory approach, this study sought to understand what influences reading comprehension and how meaning is made from text among high-functioning individuals with autism spectrum disorder (ASD). Using a think-aloud procedure, 13 individuals ages 7-13 with ASD read 16 passages at their instructional reading level.…
Perspectives on the Aetiology of ODD and CD: A Grounded Theory Approach
McFarland, Patrick; Sanders, James; Hagen, Bradley
2016-01-01
Antisocial disorders, such as oppositional defiant disorder (ODD) and conduct disorder (CD), are common reasons for youth to be seen for clinical intervention. The intent of this constructivist grounded theory study was to evaluate clinicians' perspectives on the aetiology of antisocial disorders. Six professionals from various professional…
A Grounded Theory of Connectivity and Persistence in a Limited Residency Doctoral Program
Terrell, Steven R.; Snyder, Martha M.; Dringus, Laurie P.; Maddrey, Elizabeth
2012-01-01
Limited-residency and online doctoral programs have an attrition rate significantly higher than traditional programs. This grounded-theory study focused on issues pertaining to communication between students, their peers and faculty and how interpersonal communication may affect persistence. Data were collected from 17 students actively working on…
A grounded theory study of the acquisition of technology by Danish dairy producers
DEFF Research Database (Denmark)
Brinkmann, Troels Vammen; Tandrup, Peter René; Brandt, Charlotte J.;
grounded theory method for this research. We carried out and analyzed 28 interviews with milk producers and 5 with technology vendors. Our results show that motivations for technology acquisition for milk producers include the economic situation of the farmer, the perceived value of the technology...
Executive Function and Reading Aptitude: A Grounded Theory Analysis of Teacher Perspectives
Nordman, Jenny
2013-01-01
This qualitative, grounded theory study investigated teacher perspectives on the relationship between executive function and reading aptitude. The influence of executive function may be underestimated in terms of its impact on reading aptitude, which could have significant implications on how reading aptitude is currently defined. The foundational…
The dynamics of international information systems anatomy of a grounded theory investigation
Lehmann, Hans
2010-01-01
This work probes the efficacy of using the Grounded Theory method to study the factors that lead to failure or success in the creation and ongoing management of IIS within the global enterprises. It details case studies of three large transnational companies.
Field theory of unification in nonlinear and linear network (I)——Theoretical grounds of field theory
Institute of Scientific and Technical Information of China (English)
陈燊年; 何煜光; 王建成
1995-01-01
A field theory has been proposed. The laws of conservation of charge and energy can be obtained from the Maxwell’s equations, which are placed in nonlinear network for simultaneous solution, and therefore the Kirchhoff’s law with its most fundamental integral formulae in nonlinear network can be obtained. Thus, it will strictly push forward the total basic equations from non-linear network to linear network as well as other important new relationships to provide the theoretical grounds for the field theory.
Hara, Akito; Awano, Teruyoshi
2017-06-01
Ultrashallow thermal donors (USTDs), which consist of light element impurities such as carbon, hydrogen, and oxygen, have been found in Czochralski silicon (CZ Si) crystals. To the best of our knowledge, these are the shallowest hydrogen-like donors with negative central-cell corrections in Si. We observed the ground-state splitting of USTDs by far-infrared optical absorption at different temperatures. The upper ground-state levels are approximately 4 meV higher than the ground-state levels. This energy level splitting is also consistent with that obtained by thermal excitation from the ground state to the upper ground state. This is direct evidence that the wave function of the USTD ground state is made up of a linear combination of conduction band minimums.
Ground-state properties of neutron-rich Mg isotopes
Watanabe, Shin; Shimada, Mitsuhiro; Tagami, Shingo; Kimura, Masaaki; Takechi, Maya; Fukuda, Mitsunori; Nishimura, Daiki; Suzuki, Takeshi; Matsumoto, Takuma; Shimizu, Yoshifumi R; Yahiro, Masanobu
2014-01-01
We analyze recently-measured total reaction cross sections for 24-38Mg isotopes incident on 12C targets at 240 MeV/nucleon by using the folding model and antisymmetrized molecular dynamics(AMD). The folding model well reproduces the measured reaction cross sections, when the projectile densities are evaluated by the deformed Woods-Saxon (def-WS) model with AMD deformation. Matter radii of 24-38Mg are then deduced from the measured reaction cross sections by ?ne-tuning the parameters of the def-WS model. The deduced matter radii are largely enhanced by nuclear deformation. Fully-microscopic AMD calculations with no free parameter well reproduce the deduced matter radii for 24-36Mg, but still considerably underestimate them for 37,38Mg. The large matter radii suggest that 37,38Mg are candidates for deformed halo nucleus. AMD also reproduces other existing measured ground-state properties (spin-parity, total binding energy, and one-neutron separation energy) of Mg isotopes. Neutron-number (N) dependence of defor...
Local reversibility and entanglement structure of many-body ground states
Kuwahara, Tomotaka; Amico, Luigi; Vedral, Vlatko
2015-01-01
The low-temperature physics of quantum many-body systems is largely governed by the structure of their ground states. Minimizing the energy of local interactions, ground states often reflect strong properties of locality such as the area law for entanglement entropy and the exponential decay of correlations between spatially separated observables. In this letter we present a novel characterization of locality in quantum states, which we call `local reversibility'. It characterizes the type of operations that are needed to reverse the action of a general disturbance on the state. We prove that unique ground states of gapped local Hamiltonian are locally reversible. This way, we identify new fundamental features of many-body ground states, which cannot be derived from the aforementioned properties. We use local reversibility to distinguish between states enjoying microscopic and macroscopic quantum phenomena. To demonstrate the potential of our approach, we prove specific properties of ground states, which are ...