Linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with large basis set accuracy

被引:0
|
作者
Skylaris, Chris-Kriton [1 ]
Dziedzic, Jacek [1 ,2 ]
机构
[1] Univ Southampton, Southampton SO17 1BJ, Hants, England
[2] Gdansk Univ Technol, Fac Appl Phys & Math, Gdansk, Poland
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
103-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with plane-wave basis set accuracy
    Dziedzic, Jacek
    Hill, Quintin
    Skylaris, Chris-Kriton
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
  • [2] Massively parallel linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with plane wave basis set accuracy
    Dziedzic, Jacek
    Womack, James C.
    Ali, Rozh
    Skylaris, Chris-Kriton
    JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (22):
  • [3] A linear scaling method for Hartree-Fock exchange calculations of large molecules
    Burant, JC
    Scuseria, GE
    Frisch, MJ
    JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (19): : 8969 - 8972
  • [4] Linear scaling method for Hartree-Fock exchange calculations of large molecules
    Burant, John C.
    Scuseria, Gustavo E.
    Frisch, Michael J.
    Journal of Chemical Physics, 1996, 105 (19):
  • [5] Linear scaling computation of the Hartree-Fock exchange matrix
    Schwegler, E
    Challacombe, M
    JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (07): : 2726 - 2734
  • [6] Linear scaling exchange gradients for Hartree-Fock and hybrid density functional theory
    Ochsenfeld, C
    CHEMICAL PHYSICS LETTERS, 2000, 327 (3-4) : 216 - 223
  • [7] Linear-Scaling Implementation of Multilevel Hartree-Fock Theory
    Goletto, Linda
    Kjonstad, Eirik F.
    Folkestad, Sarai D.
    Hoyvik, Ida-Marie
    Koch, Henrik
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 17 (12) : 7416 - 7427
  • [8] Linear-scaling calculation of Hartree-Fock exchange energy with non-orthogonal generalised Wannier functions
    Dziedzic, J.
    Hill, Q.
    Skylaris, C. -K.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (21):
  • [9] PHYS 141-Hybrid functionals: The role of nonlocal Hartree-Fock exchange
    Scuseria, Gustavo E.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235