ABINITIO SCF POLARIZABILITIES AND ELECTRON-MOLECULE ADIABATIC POLARIZATION POTENTIALS .1. H-2

被引：39

作者：

TRUHLAR, DG

DIXON, DA

EADES, RA

机构：

[1] Department of Chemistry, University of Minnesota, Minneapolis

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1979年 / 12卷 / 12期

关键词：

D O I：

10.1088/0022-3700/12/12/011

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Ab initio calculations of the static electric-dipole polarisability and the adiabatic polarisation potential including all multipole terms for electron scattering are reported for H2. The authors particularly examine the dependence of the polarisation potential on distance to the electron, orientation of the molecule, and internuclear distance.

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页码：1913 / 1925

页数：13

相关论文

共 27 条

[1] VIBRATIONAL EXCITATION OF DIATOMIC MOLECULES BY ELECTRON IMPACT [J].

BREIG, EL ;

LIN, CC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (11) :3839-&

[2] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&

[3]

DRACHMAN RJ, 1972, CASE STUDIES ATOMIC, V2, P399

[4]

Dunning T., 1977, METHODS ELECT STRUCT, P1

[5] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J].

DUPUIS, M ;

RYS, J ;

KING, HF .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :111-116

[6]

DUPUIS M, 1978, QUANTUM CHEM PROGRAM, V10, P100

[7] DIPOLE-POLARIZATION POTENTIAL IN H2-ELECTRON SYSTEM [J].

HARA, S .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1969, 27 (05) :1262-&

[8] ROTATIONAL-VIBRATIONAL EXCITATION OF H2 BY SLOW ELECTRONS [J].

HENRY, RJW ;

CHANG, ES .

PHYSICAL REVIEW A, 1972, 5 (01) :276-&

[9] VIBRATIONAL AND ROTATIONAL EXCITATION OF MOLECULAR HYDROGEN BY ELECTRON IMPACT [J].

HENRY, RJW .

PHYSICAL REVIEW A, 1970, 2 (04) :1349-&

[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&