2ND-ORDER COUPLED PERTURBED HARTREE-FOCK EQUATIONS FOR CLOSED-SHELL AND OPEN-SHELL SELF-CONSISTENT-FIELD WAVE-FUNCTIONS

被引：31

作者：

OSAMURA, Y ^{[1
]}

YAMAGUCHI, Y ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

CHEMICAL PHYSICS | 1986年 / 103卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(86)80023-4

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：

引用

页码：227 / 242

页数：16

共 48 条

[41] GENERALIZED MOLLER-PLESSET PERTURBATION-THEORY - 2ND ORDER RESULTS FOR 2-CONFIGURATION, OPEN-SHELL EXCITED SINGLET, AND DOUBLET WAVE-FUNCTIONS
WOLINSKI, K
PULAY, P
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (07): : 3647 - 3659
[42] ANALYTIC ENERGY 2ND DERIVATIVES FOR 2-CONFIGURATION SELF-CONSISTENT-FIELD WAVE-FUNCTIONS - APPLICATION TO TWISTED ETHYLENE AND TO THE TRIMETHYLENE DIRADICAL
YAMAGUCHI, Y
OSAMURA, Y
SCHAEFER, HF
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (26) : 7506 - 7511
[43] Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states -: art. no. 244102
Vitale, V
Della Sala, F
Görling, A
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (24):
[44] Coupled-cluster studies of HOONO+:: Additional conformers of the 2A"ON+-OOH complex and a comparison of restricted and unrestricted open-shell Hartree-Fock coupled-cluster results
Watts, JD
Francisco, JS
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2004, 100 (05) : 764 - 770
[45] GENERALIZATION OF ANALYTIC CONFIGURATION-INTERACTION (CI) GRADIENT TECHNIQUES FOR POTENTIAL-ENERGY HYPERSURFACES, INCLUDING A SOLUTION TO THE COUPLED PERTURBED HARTREE-FOCK EQUATIONS FOR MULTICONFIGURATION SCF MOLECULAR WAVE-FUNCTIONS
OSAMURA, Y
YAMAGUCHI, Y
SCHAEFER, HF
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (01): : 383 - 390
[46] THE MULTICONFIGURATION TIME-DEPENDENT HARTREE-FOCK METHOD BASED ON A CLOSED-SHELL-TYPE MULTICONFIGURATION SELF-CONSISTENT FIELD REFERENCE STATE AND ITS APPLICATION TO THE LIH MOLECULE
SASAGANE, K
MORI, K
ICHIHARA, A
ITOH, R
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (06): : 3619 - 3632
[47] FINITE-FIELD CALCULATIONS OF MOLECULAR POLARIZABILITIES USING FIELD-INDUCED POLARIZATION FUNCTIONS .2. 2ND-ORDER AND 3RD-ORDER PERTURBATION CORRELATION CORRECTIONS TO THE COUPLED HARTREE-FOCK POLARIZABILITY OF HF
MUKHERJEE, PK
MINATO, T
CHONG, DP
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (02) : 447 - 457
[48] FINITE-FIELD CALCULATIONS OF MOLECULAR POLARIZABILITIES USING FIELD-INDUCED POLARIZATION FUNCTIONS - 2ND-ORDER AND 3RD-ORDER PERTURBATION CORRELATION CORRECTIONS TO THE COUPLED HARTREE-FOCK POLARIZABILITY OF H2O
ZEISS, GD
SCOTT, WR
SUZUKI, N
CHONG, DP
LANGHOFF, SR
MOLECULAR PHYSICS, 1979, 37 (05) : 1543 - 1572

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