Toward a comprehensive treatment of temperature in electronic structure calculations: Non-zero-temperature Hartree-Fock and exact-exchange Kohn-Sham methods

被引：0

作者：

机构：

[1] Schulz, Hannes

[2] Görling, Andreas

来源：

Görling, Andreas (andreas.goerling@fau.de) | 1600年 / Springer Verlag卷 / 96期

关键词：

84;

D O I：

10.1007/978-3-319-04912-0_4

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摘要：

引用

共 8 条

[1] General treatment of the singularities in Hartree-Fock and exact-exchange Kohn-Sham methods for solids
Carrier, Pierre
Rohra, Stefan
Goerling, Andreas
PHYSICAL REVIEW B, 2007, 75 (20):
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Della Sala, F
Görling, A
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (13): : 5718 - 5732
[3] Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions
Cinal, M.
Holas, A.
PHYSICAL REVIEW A, 2011, 83 (06)
[4] Open-shell localized Hartree-Fock approach for an efficient effective exact-exchange Kohn-Sham treatment of open-shell atoms and molecules
Della Sala, F
Görling, A
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (23): : 10439 - 10454
[5] Correction to Slater exchange potential to yield exact Kohn-Sham potential generating the Hartree-Fock density
Holas, A
March, NH
PHYSICAL REVIEW B, 1997, 55 (03): : 1295 - 1298
[6] A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations
Rubensson, Emanuel H.
Rudberg, Elias
Salek, Pawel
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2007, 28 (16) : 2531 - 2537
[7] Electronic and optical properties of functionalized carbon chains with the localized Hartree-Fock and conventional Kohn-Sham methods
Weimer, M
Hieringer, W
Della Sala, F
Görling, A
CHEMICAL PHYSICS, 2005, 309 (01) : 77 - 87
[8] LDA, GW, and exact-exchange Kohn-Sham scheme calculations of the electronic structure of sp semiconductors -: art. no. 245204
Fleszar, A
PHYSICAL REVIEW B, 2001, 64 (24):

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