Convergence behaviour of multireference perturbation theory: an indicator

被引:0
|
作者
机构
来源
Mol Phys | / 6卷 / 1007期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] Third-Order Generalized Van Vleck Perturbation Theory Variant of Multireference Perturbation Theory for Electron Correlation
    Khait, Yuriy G.
    Jiang, Wanyi
    Hoffmann, Mark R.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2009, 109 (09) : 1855 - 1873
  • [32] Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory
    Shiozaki, Toru
    Yanai, Takeshi
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (09) : 4347 - 4351
  • [33] CONVERGENCE OF PERTURBATION THEORY FOR STATIC MODELS
    JAMES, PB
    NORTH, GR
    PHYSICAL REVIEW D, 1970, 2 (04): : 695 - &
  • [34] Maximum radius of convergence perturbation theory
    Finley, JP
    JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (16): : 6997 - 7001
  • [35] Excited states in metal oxides by configuration interaction and multireference perturbation theory
    Sousa, C
    De Graaf, C
    Illas, F
    Pacchioni, G
    NEW TRENDS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 2: ADVANCED PROBLEMS AND COMPLEX SYSTEMS, 2001, 7 : 227 - 245
  • [36] Multireference configuration interaction and perturbation theory without reduced density matrices
    Mahajan, Ankit
    Blunt, Nick S.
    Sabzevari, Iliya
    Sharma, Sandeep
    JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (21):
  • [37] GVVPT2 multireference perturbation theory study of selenium oxides
    Mokambe, Rashel M.
    Hicks, Jason M.
    Kerker, Dana
    Jiang, Wanyi
    Theis, Daniel
    Chen, Zhenhua
    Khait, Yuriy G.
    Hoffmann, Mark R.
    MOLECULAR PHYSICS, 2013, 111 (9-11) : 1078 - 1091
  • [39] Convergence of coupled cluster perturbation theory
    Eriksen, Janus J.
    Kristensen, Kasper
    Matthews, Devin A.
    Jorgensen, Poul
    Olsen, Jeppe
    JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (22):
  • [40] Introduction of n-electron valence states for multireference perturbation theory
    Angeli, C
    Cimiraglia, R
    Evangelisti, S
    Leininger, T
    Malrieu, JP
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (23): : 10252 - 10264