Spin-coupled calculations based on projected spin eigenfunctions

被引：2
|
作者：
Friis-Jensen, B
Cooper, DL
Rettrup, S
机构：
[1] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen O, Denmark
[2] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England
来源：
THEORETICAL CHEMISTRY ACCOUNTS | 1998年 / 99卷 / 01期
关键词：
spin-coupled; projected spin eigenfunctions; symmetric group;
D O I：
10.1007/s002140050304
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
It is outlined how the utilization of a basis of projected spin eigenfunctions can lead to increased computational efficiency in the evaluation of matrix elements and density matrices in spin-coupled valence bond calculations.
引用
收藏
页码：64 / 67
页数：4
相关论文
共 50 条
  • [41] State-selective optimization of multiconfigurational spin-coupled wavefunctions
    Manby, FR
    Doggett, G
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1998, 31 (05) : 949 - 962
  • [42] Extraction of local spin-coupled states by second quantized operators
    Nakatani, Kaho
    Higashi, Masahiro
    Sato, Hirofumi
    JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (01):
  • [43] MOSSBAUER AND SUSCEPTIBILITY STUDY OF A SPIN-COUPLED HIGH-SPIN FERROUS SYNTHETIC HEME COMPOUND
    SHAEVITZ, BA
    REED, CA
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1993, 7 (1-3): : 899 - 902
  • [44] SPIN-COUPLED RESISTANCE OBSERVED IN FERROMAGNET-SUPERCONDUCTOR-FERROMAGNET TRILAYERS
    JOHNSON, M
    APPLIED PHYSICS LETTERS, 1994, 65 (11) : 1460 - 1462
  • [45] Local spin-coupled distortions in multiferroic hexagonal HoMnO3
    Tyson, T. A.
    Wu, T.
    Ahn, K. H.
    Kim, S. -B.
    Cheong, S. -W.
    PHYSICAL REVIEW B, 2010, 81 (05):
  • [46] Spin-Resolved Quantum Scars in Confined Spin-Coupled Two-Dimensional Electron Gas
    Berger, Michael
    Schulz, Dominik
    Berakdar, Jamal
    NANOMATERIALS, 2021, 11 (05)
  • [47] Half degree vortices for a spin-coupled Ginzburg-Landau model
    Alama, S
    Bronsard, L
    COMPTES RENDUS MATHEMATIQUE, 2003, 337 (04) : 243 - 247
  • [48] State-selective core-optimized spin-coupled theory
    McNicholas, SJ
    Manby, FR
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 74 (02) : 97 - 102
  • [49] THE NATURE OF THE CARBON-CARBON BONDS IN CYCLOPROPANE AND CYCLOBUTANE - A COMPARISON BASED ON SPIN-COUPLED THEORY
    KARADAKOV, PB
    GERRATT, J
    COOPER, DL
    RAIMONDI, M
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (17) : 7714 - 7721
  • [50] TOPOLOGICAL PARTITIONING OF ELECTRON-DENSITIES FROM SPIN-COUPLED WAVEFUNCTIONS
    COOPER, DL
    ALLAN, NL
    CHEMICAL PHYSICS LETTERS, 1988, 150 (3-4) : 287 - 293
12345