ADIABATIC, SCF AND COUPLED SCF-VIRTUAL EQUATIONS FOR MULTIMODE VIBRATIONAL ENERGIES

被引：7

|

作者：

MAKAREWICZ, J

WIERZBICKI, A

KOPUT, J

机构：

来源：

CHEMICAL PHYSICS | 1985年 / 97卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(85)87040-3

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

收藏

页码：311 / 319

页数：9

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[1] KOOPMANS THEOREM AND VIRTUAL ORBITAL ENERGIES IN THE GENERAL SCF THEORY
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[2] VARIATIONAL CALCULATION OF VIBRATIONAL ENERGIES OF TRIATOMIC-MOLECULES USING SCF OPTIMIZED MODES
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[3] INVESTIGATIONS OF SELF-CONSISTENT FIELD, SCF CI AND VIRTUAL STATE CONFIGURATION-INTERACTION VIBRATIONAL ENERGIES FOR A MODEL 3-MODE SYSTEM
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[4] PERTURBATIVE VIRTUAL SCF CI TREATMENT FOR ENERGY-LEVELS OF COUPLED OSCILLATOR-SYSTEMS
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[5] High torsional vibrational energies of H2O2 and CH3OH studied by MULTIMODE with a large amplitude motion coupled to two effective contraction schemes
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MOLECULAR PHYSICS, 2009, 107 (8-12) : 727 - 737
[6] THE SEMI-CLASSICAL SELF-CONSISTENT-FIELD (SC-SCF) APPROACH TO ENERGY-LEVELS OF COUPLED VIBRATIONAL-MODES .2. THE SEMI-CLASSICAL STATE-INTERACTION PROCEDURE
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[7] 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
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