Alternative approaches to large-scale electronic structure calculations

被引:0
|
作者
Pulay, P [1 ]
机构
[1] Univ Arkansas, Dept Chem & Biochem, Fayetteville, AR 72701 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
94-PHYS
引用
收藏
页码:U214 / U215
页数:2
相关论文
共 50 条
  • [1] LARGE-SCALE ELECTRONIC-STRUCTURE CALCULATIONS
    GALLI, G
    PARRINELLO, M
    PHYSICAL REVIEW LETTERS, 1992, 69 (24) : 3547 - 3550
  • [2] LARGE-SCALE ELECTRONIC-STRUCTURE CALCULATIONS
    PARINELLO, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 204 : 75 - PHYS
  • [3] TOWARDS VERY LARGE-SCALE ELECTRONIC-STRUCTURE CALCULATIONS
    BARONI, S
    GIANNOZZI, P
    EUROPHYSICS LETTERS, 1992, 17 (6BIS): : 547 - 552
  • [4] LARGE-SCALE ELECTRONIC-STRUCTURE CALCULATIONS WITH MULTIGRID ACCELERATION
    BRIGGS, EL
    SULLIVAN, DJ
    BERNHOLC, J
    PHYSICAL REVIEW B, 1995, 52 (08) : R5471 - R5474
  • [5] Multidomain decomposition approach to large-scale electronic structure calculations
    Varga, K.
    PHYSICAL REVIEW B, 2010, 81 (04):
  • [6] Auxiliary basis expansions for large-scale electronic structure calculations
    Jung, Y
    Sodt, A
    Gill, PMW
    Head-Gordon, M
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (19) : 6692 - 6697
  • [7] Large-scale electronic structure calculations using linear scaling methods
    Galli, G
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2000, 217 (01): : 231 - 249
  • [8] Systematically improvable exciton Hamiltonians in large-scale electronic structure calculations
    Liu, Yuhong
    Dutoi, Anthony
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [9] Towards the High Performance Method for Large-Scale Electronic Structure Calculations
    Bodroski, Zarko
    Vukmirovic, Nenad
    Skrbic, Srdjan
    HIGH PERFORMANCE COMPUTING AND APPLICATIONS, HPCA 2015, 2016, 9576 : 90 - 99
  • [10] Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
    Ratcliff, Laura
    Dawson, William
    Fisicaro, Giuseppe
    Caliste, Damien
    Mohr, Stephan
    Degomme, Augustin
    Videau, Brice
    Cristiglio, Viviana
    Stella, Martina
    D'Alessandro, Marco
    Goedecker, Stefan
    Nakajima, Takahito
    Deutsch, Thierry
    Genovese, Luigi
    JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (19):