APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .11. EXTENSION OF FSGO METHOD TO OPEN-SHELL TREATMENTS

被引：9

作者：

PAKIARI, AH ^{[1
]}

LINNETT, JW ^{[1
]}

机构：

[1] UNIV CAMBRIDGE,DEPT PHYS CHEM,CAMBRIDGE CB2 1EP,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1976年 / 72卷

关键词：

D O I：

10.1039/f29767200641

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：641 / 645

页数：5

共 40 条

[21] Extension of the SCF-MI method to the case of K fragments one of which is an open-shell system.
Gianinetti, E
Vandoni, I
Famulari, A
Raimondi, M
ADVANCES IN QUANTUM CHEMISTRY, VOL 31: QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT I, 1999, 31 : 251 - 266
[22] Equation-of-motion coupled-cluster method for ionised states with spin-orbit coupling using open-shell reference wavefunction
Wang, Zhifan
Wang, Fan
MOLECULAR PHYSICS, 2018, 116 (7-8) : 935 - 943
[23] Application of spin-restricted open-shell Kohn-Sham method to atomic and molecular multiplet states
Filatov, M
Shaik, S
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (01): : 116 - 125
[24] STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .2. SIMPLE OPEN-SHELL CASE
PALDUS, J
CIZEK, J
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06): : 2919 - &
[25] DIAGRAMMATIC NON-DEGENERATE RSPT FOR EVALUATION OF GROUND-STATE ENERGY OF SIMPLE OPEN-SHELL MOLECULAR-SYSTEMS
KVASNICKA, V
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LAURINC, V
MOLECULAR PHYSICS, 1981, 42 (06) : 1345 - 1353
[26] Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters, II. Applications
Mol Phys, 1 (41):
[27] AN ALGEBRAIC-METHOD FOR SOLVING HARTREE-FOCK EQUATIONS .2. OPEN-SHELL MOLECULAR-SYSTEMS
TEIXEIRA, RM
MALBOUISSON, LAC
VIANNA, JDM
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1993, 90 (10) : 1999 - 2005
[28] Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method
DePrince, A. Eugene, III
Mazziotti, David A.
JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (16):
[29] PHOTOCHEMICAL AND SPECTROSCOPIC APPLICATIONS OF APPROXIMATE MOLECULAR-ORBITAL THEORY .1. AVERAGED FIELD APPROXIMATE OPEN-SHELL THEORY
BIRGE, RR
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (25) : 8241 - 8249
[30] Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications
Li, X
Paldus, J
MOLECULAR PHYSICS, 1998, 94 (01) : 41 - 54

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