COMMENT ON AB-INITIO GROUND-STATE POTENTIAL-ENERGY SURFACES FOR ANIONS OF POLAR-MOLECULES

被引：41

作者：

GARRETT, WR

机构：

[1] Chemical Physics Section, Health and Safety Research Division, Oak Ridge National Laboratory, Oak Ridge

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 62卷 / 02期

关键词：

D O I：

10.1016/0009-2614(79)80189-X

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：

A new and simple proof is given of the theorem that ab initio Born-Oppenheimer energy calculations for any polar molecule having an electric dipole moment μ > 1.625 debye must yield a positive electron affinity. © 1979.

引用

页码：325 / 328

页数：4

共 10 条

[1] SYMMETRY OF NEGATIVE-IONS OF POLAR-MOLECULES
CRAWFORD, OH
[J]. MOLECULAR PHYSICS, 1973, 26 (01) : 139 - 143
[2] ELECTRON-AFFINITIES OF POLAR-MOLECULES
CRAWFORD, OH
GARRETT, WR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (11) : 4968 - 4970
[3] NEGATIVE IONS OF POLAR MOLECULES
CRAWFORD, OH
[J]. MOLECULAR PHYSICS, 1971, 20 (04) : 585 - &
[4] BOUND STATES OF A CHARGED PARTICLE IN A DIPOLE FIELD
CRAWFORD, OH
[J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 91 (572P): : 279 - &
[5] Critical binding of an electron to a non-stationary electric dipole
Garrett, W. R.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (07) : 393 - 397
[6] CRITICAL BINDING OF AN ELECTRON TO A ROTATIONALLY EXCITED DIPOLAR SYSTEM
GARRETT, WR
[J]. PHYSICAL REVIEW A, 1971, 3 (03): : 961 - &
[7] CORRELATION BETWEEN MOLECULAR ELECTRON-AFFINITIES AND DIPOLE-MOMENTS
JORDAN, KD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (03) : 1214 - 1215
[8] THEORETICAL-STUDY OF STABLE NEGATIVE-IONS OF POLAR-MOLECULES - NAH-, LIH-, LIF-, BEO
JORDAN, KD
GRIFFING, KM
KENNEY, J
ANDERSEN, EL
SIMONS, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) : 4730 - 4740
[9] JORDAN KD, 1977, CHEM PHYS, V21, P144
[10] SCF ABINITIO GROUND-STATE POTENTIAL-ENERGY SURFACES FOR HCN AND HCN-
PACANSKY, J
DALAL, NS
BAGUS, PS
[J]. CHEMICAL PHYSICS, 1978, 32 (02) : 183 - 187

← 1 →