NUMERICAL TEST OF INTEGRAL HELLMANN-FEYNMAN THEOREM

被引：23

作者：

FINK, WH

ALLEN, LC

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1967年 / 46卷 / 08期

关键词：

D O I：

10.1063/1.1841204

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：3270 / &

共 9 条

[1]

BUENKER RJ, TO BE PUBLISHED

[2] ORIGIN OF ROTATIONAL BARRIERS .2. METHYLAMINE AND IMPROVED WAVEFUNCTIONS FOR HYDROGEN PEROXIDE [J].

FINK, WH ;

ALLEN, LC .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2276-&

[3] ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE [J].

FINK, WH ;

ALLEN, LC .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2261-&

[4] ENERGY DIFFERENCES FROM INTEGRAL HELLMANN-FEYNMAN FORMULA - APPLICATION TO HEH+ [J].

HAYES, EF ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (12) :4650-&

[5] INTEGRAL HELLMANN-FEYNMAN THEOREM [J].

KIM, HJ ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2892-+

[6] ON PARRS THEOREM [J].

MUSHER, JI .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (06) :2145-&

[7] THEOREM GOVERNING CHANGES IN MOLECULAR CONFORMATION [J].

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (12) :3726-&

[8] THEORY OF ORIGIN OF INTERNAL-ROTATION BARRIER IN ETHANE MOLECULE .2. [J].

WYATT, RE ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (04) :1529-+

[9] THEORY OF ORIGIN OF INTERNAL-ROTATION BARRIER IN ETHANE MOLECULE . I [J].

WYATT, RE ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S217-+

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