INTERACTION POLARIZABILITY OF 2 HYDROGEN MOLECULES

被引：18

作者：

BOUNDS, DG ^{[1
]}

机构：

[1] UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,LANCASHIRE,ENGLAND

来源：

MOLECULAR PHYSICS | 1979年 / 38卷 / 06期

关键词：

D O I：

10.1080/00268977900103071

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：

The incremental polarizability which occurs when two hydrogen molecules interact has been calculated by the ab initio SCF method using a [3s, 2p] gaussian basis set. Results are reported for various separations and orientations. Where symmetry allows, the polarizabilities are compared with those of the helium diatom. The general shapes of the curves are similar, though they differ in detail. © 1979 Taylor & Francis Ltd.

引用

页码：2099 / 2106

页数：8

共 29 条

[1]

BOTTCHER CJF, 1978, THEORY ELECTRIC POLA, V1, P240

[2]

BOTTCHER CJF, 1978, THEORY ELECTRIC POLA, V2, P327

[3] PAIR POLARIZABILITIES OF LI+-LI+ AND CL--CL- [J].

BOUNDS, DG ;

HINCHLIFFE, A .

CHEMICAL PHYSICS LETTERS, 1978, 56 (02) :303-306

[4] POLARIZABILITY OF LICL AS A FUNCTION OF BOND DISTANCE [J].

BOUNDS, DG ;

CLARKE, JHR ;

HINCHLIFFE, A .

CHEMICAL PHYSICS LETTERS, 1977, 45 (02) :367-369

[5] DIPOLE-MOMENT OF HCN IN CRYSTAL [J].

BOUNDS, DG ;

HINCHLIFFE, A ;

MUNN, RW ;

NEWHAM, RJ .

CHEMICAL PHYSICS LETTERS, 1974, 29 (04) :600-602

[6] POLARIZABILITY OF KCL [J].

BOUNDS, DG ;

HINCHLIFFE, A .

CHEMICAL PHYSICS LETTERS, 1978, 54 (02) :289-291

[7] THE POLARIZABILITY OF A PAIR OF INTERACTING ATOMS [J].

BUCKINGHAM, AD .

TRANSACTIONS OF THE FARADAY SOCIETY, 1956, 52 (08) :1035-1041

[8] LONG-RANGE EFFECTS OF MOLECULAR-INTERACTIONS ON POLARIZABILITY OF ATOMS [J].

BUCKINGHAM, AD ;

CLARKE, KL .

CHEMICAL PHYSICS LETTERS, 1978, 57 (03) :321-325

[9] GAUSSIAN BASIS SETS FOR POLARIZABILITY CALCULATIONS [J].

CHRISTIANSEN, PA ;

MCCULLOUGH, EA .

CHEMICAL PHYSICS LETTERS, 1978, 55 (03) :439-442

[10] ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS [J].

COHEN, HD ;

ROOTHAAN, CC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S034-+

← 1 2 3 →