AB-INITIO VALENCE BOND CALCULATIONS OF POTENTIAL-ENERGY SURFACE FOR H+H2

被引：17

作者：

NORBECK, JM

CERTAIN, PR

机构：

[1] UNIV WISCONSIN,THEORET CHEM INST,MADISON,WI 53706

[2] UNIV WISCONSIN,DEPT CHEM,MADISON,WI 53706

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 63卷 / 10期

关键词：

D O I：

10.1063/1.431184

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：4127 / 4132

页数：6

共 32 条

[1] ROTATIONAL EXCITATION OF MOLECULAR HYDROGEN [J].

ALLISON, AC ;

DALGARNO, A .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 90 (569P) :609-&

[2] THEORY OF DISTORTED-WAVE BORN APPROXIMATION FOR REACTIVE SCATTERING OF AN ATOM AND A DIATOMIC MOLECULE [J].

CHOI, BH ;

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5147-5157

[3] INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .2. H+H2 ROTATIONAL EXCITATION [J].

CHOI, BH ;

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1783-1796

[4] INELASTIC-COLLISIONS BETWEEN AN ATOM AND A DIATOMIC MOLECULE .1. THEORETICAL AND NUMERICAL CONSIDERATIONS FOR CLOSE COUPLING APPROXIMATION [J].

CHOI, BH ;

TANG, KT .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1775-1782

[5] ROTATIONAL EXCITATION OF H2 AND D2 BY H IMPACT [J].

DALGARNO, A ;

HENRY, RJW ;

ROBERTS, CS .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1966, 88 (561P) :611-&

[6] PSEUDONATURAL ORBITALS AS A BASIS FOR SUPERPOSITION OF CONFIGURATIONS .2. ENERGY SURFACE FOR LINEAR H3 [J].

EDMISTON, C ;

KRAUSS, M .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (01) :192-&

[7] Valence-bond calculation of the symmetric dissociation of BeH2 [J].

Gallup, G. A. ;

Norbeck, J. M. .

CHEMICAL PHYSICS, 1973, 2 (01) :19-26

[8] SYMMETRIES OF ELECTRON WAVE-FUNCTIONS UNDER VARIOUS SPATIAL GROUPS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (02) :267-291

[9] POPULATION ANALYSES OF VALENCE-BOND WAVEFUNCTIONS AND BEH2 [J].

GALLUP, GA ;

NORBECK, JM .

CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :495-500

[10] VALENCE-BOND CALCULATIONS AND MATRIX-ELEMENTS BETWEEN 2 TABLEAU FUNCTIONS OF NON-ORTHOGONAL ORBITALS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (05) :899-&

← 1 2 3 4 →