UNRESTRICTED HARTREE-FOCK THEORY OF CHEMICAL REACTIONS .3. - INSTABILITY CONDITIONS FOR PARAMAGNETIC AND SPIN DENSITY WAVE STATES AND APPLICATION TO INTERNAL-ROTATION OF ETHYLENE

被引：49

作者：

FUKUTOME, H ^{[1
]}

机构：

[1] KYOTO UNIV, DEPT PHYS, KYOTO, JAPAN

来源：

PROGRESS OF THEORETICAL PHYSICS | 1973年 / 50卷 / 05期

关键词：

D O I：

10.1143/PTP.50.1433

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：1433 / 1451

页数：19

共 16 条

[1] CIZEK J, 1967, J CHEM PHYS, V47, P3976
[2] UNRESTRICTED HARTREE-FOCK THEORY OF CHEMICAL REACTIONS .2. DISSOCIATION REACTION OF ASYMMETRIC 2-CENTER 2-ELECTRON SYSTEM
FUKUTOME, H
[J]. PROGRESS OF THEORETICAL PHYSICS, 1973, 49 (01): : 22 - 36
[3] UNRESTRICTED HARTREE-FOCK THEORY OF CHEMICAL REACTIONS .1. ELECTRONIC INSTABILITIES IN CHEMICAL REACTIONS AND SOLUTIONS OF UNRESTRICTED SCF LCAO MO EQUATION FOR HOMOPOLAR 2-CENTER 2-ELECTRON SYSTEM
FUKUTOME, H
[J]. PROGRESS OF THEORETICAL PHYSICS, 1972, 47 (04): : 1156 - &
[4] COMMENTS ON USE OF UNRESTRICTED HARTREE-FOCK THEORY IN ORBITAL ENERGY CROSSING
JORDAN, KD
SILBEY, R
[J]. CHEMICAL PHYSICS LETTERS, 1973, 18 (01) : 27 - 30
[5] ELECTRONIC MECHANISM OF ELECTROCYCLIC REACTIONS
LONGUETHIGGINS, HC
ABRAHAMS, EW
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (09) : 2045 - +
[6] ULTRAVIOLET SPECTRA AND EXCITED STATES OF ETHYLENE AND ITS ALKYL DERIVATIVES
MERER, AJ
MULLIKEN, RS
[J]. CHEMICAL REVIEWS, 1969, 69 (05) : 639 - &
[7] COMPLEX AND UNRESTRICTED HARTREE-FOCK WAVEFUNCTIONS
OSTLUND, NS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (07) : 2994 - &
[8] STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .2. SIMPLE OPEN-SHELL CASE
PALDUS, J
CIZEK, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) : 2919 - &
[9] PALDUS J, 1970, J POLYM SCI, V29, P199
[10] ON THE ELECTRONIC STRUCTURE AND ELECTRONIC SPECTRA OF ETHYLENE-LIKE MOLECULES
PARR, RG
PARISER, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (04) : 711 - 725

← 1 2 →