Multireference Fock Space Coupled-Cluster Method for the (3,0) Sector

被引:0
|
作者
Musial, Monika [1 ]
Kucharski, Stanislaw A. [1 ]
机构
[1] Institute of Chemistry, University of Silesia in Katowice, Szkolna 9, Katowice,40-006, Poland
来源
Journal of Physical Chemistry A | 2024年 / 128卷 / 44期
关键词
Compendex;
D O I
10.1021/acs.jpca.4c04357
中图分类号
学科分类号
摘要
Alkaline earth metals
引用
收藏
页码:9670 / 9681
相关论文
共 50 条
  • [31] Fock Space Multireference Coupled Cluster Theory: Study of Shape Resonance
    Bhattacharya, Sumantra
    Vaval, Nayana
    Pal, Sourav
    [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2013, 113 (12) : 1690 - 1695
  • [32] SYMMETRY-BREAKING IN RADICALS STUDIED BY THE FOCK-SPACE MULTIREFERENCE COUPLED CLUSTER METHOD
    KALDOR, U
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 202 : 16 - PHYS
  • [33] Fock space multireference coupled cluster method with full inclusion of connected triples for excitation energies
    Musial, M
    Bartlett, RJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (04): : 1670 - 1675
  • [34] A general formalism of the Fock space multireference coupled cluster method for investigating molecular electronic resonances
    Sajeev, Y
    Pal, S
    [J]. MOLECULAR PHYSICS, 2005, 103 (15-16) : 2267 - 2275
  • [35] FOCK-SPACE MULTIREFERENCE COUPLED-CLUSTER THEORY - 4TH-ORDER CORRECTIONS TO THE IONIZATION-POTENTIAL
    VAVAL, N
    GHOSE, KB
    PAL, S
    MUKHERJEE, D
    [J]. CHEMICAL PHYSICS LETTERS, 1993, 209 (03) : 292 - 298
  • [36] Effective Hamiltonian and intermediate Hamiltonian formulations of the Fock-space coupled-cluster method
    Meissner, L
    Gryniaków, J
    [J]. COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 2003, 68 (01) : 105 - 138
  • [37] Fock-space coupled-cluster method fully utilizing valence universal strategy
    Meissner, Leszek
    [J]. Journal of Chemical Physics, 1995, 103 (18):
  • [38] A FOCK-SPACE COUPLED-CLUSTER METHOD FULLY UTILIZING VALENCE UNIVERSAL STRATEGY
    MEISSNER, L
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (18): : 8014 - 8021
  • [39] The relativistic Fock-space coupled-cluster method for molecules: CdH and its ions
    Eliav, E
    Kaldor, U
    Hess, BA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (09): : 3409 - 3415
  • [40] Fock space coupled-cluster method for potential energy curves of KH and its cation
    Tomanek, Magdalena
    Musial, Monika
    Kucharski, Stanislaw A.
    [J]. NEW ELECTRON CORRELATION METHODS AND THEIR APPLICATIONS, AND USE OF ATOMIC ORBITALS WITH EXPONENTIAL ASYMPTOTES, 2021, 83 : 125 - 138