DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO DENSITY MATRIX FORMALISM .3. ALL SINGLE-EXCITATION WAVEFUNCTIONS IN MULTICONFIGURATIONAL SELF-CONSISTENT FIELD

被引：13

作者：

FANTUCCI, P

POLEZZO, S

STABILINI, MP

机构：

[1] UNIV MILANO, IST CHIM GEN, CNR CTR, Milan, ITALY

[2] CNR, CTR RELAZIONI STRUTTURA & REATTIVITA CHIM, Milan, ITALY

来源：

THEORETICA CHIMICA ACTA | 1976年 / 41卷 / 04期

关键词：

D O I：

10.1007/BF01177999

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：311 / 319

页数：9

共 12 条

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MOLECULAR PHYSICS, 1975, 30 (04) :1203-1211

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[7]

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[8] DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO DENSITY MATRIX FORMALISM .2. MULTICONFIGURATION SELF-CONSISTENT-FIELD THEORY FOR GROUND AND EXCITED-STATES [J].

POLEZZO, S .

THEORETICA CHIMICA ACTA, 1975, 40 (03) :245-252

[9] DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO DENSITY MATRIX FORMALISM .1. CLOSED AND OPEN-SHELL SYSTEMS [J].

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THEORETICA CHIMICA ACTA, 1975, 38 (03) :211-221

[10] THE ELECTRONIC SPECTRA OF AROMATIC MOLECULES .2. A THEORETICAL TREATMENT OF EXCITED STATES OF ALTERNANT HYDROCARBON MOLECULES BASED ON SELF-CONSISTENT MOLECULAR ORBITALS [J].

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