Sample records for calculations 4-dimensional

Sample records 1 - 2 shown.


Electron-electron correlation in graphite: combined angle-resolved photoemission experiments and ab-initio calculations

Grüneis, Alexander ; Attaccalite, Claudio ; Pichler, Thomas ; Zabolotnyy, V. ; Shiozawa, H. ; Molodtsov, S.

4 pp.-- PACS nrs.: 79.60.-i, 71.10.-w, 71.20.Tx, 71.55.Ak. | The full three-dimensional dispersion of the π bands, Fermi velocities, and effective masses are measured with angle-resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functiona...

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Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complex

Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo ; Werner, Hans-Joachim

9 pages, 6 figures, 4 tables.-- PACS nrs.: 31.15.Ar; 31.50.-x; 33.50.Dq; 33.15.Bh; 31.15.Dv; 33.70.Jg. | The three-dimensional interaction potential for I2(B 3Π0(u)+)+He is computed using accurate ab initio methods and a large basis set. Scalar relativistic effects are accounted for by large-core re...

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