SCF AB-INITIO GROUND-STATE ENERGY SURFACES FOR CO2 AND CO2-

被引：133

作者：

PACANSKY, J ^{[1
]}

WAHLGREN, U ^{[1
]}

BAGUS, PS ^{[1
]}

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

来源：

关键词：

D O I：

10.1063/1.430807

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：2740 / 2744

页数：5

共 16 条

[1] ALMLOF J, 1973, 2ND P SEM COMP PROBL, P14
[2] BAGUS PS, 1972, RJ1077 IBM RES REP
[3] ATOMIC NEGATIVE IONS
CLEMENTI, E
MCLEAN, AD
[J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (2A): : A419 - &
[4] METASTABLE ANIONS OF CO2
COOPER, CD
COMPTON, RN
[J]. CHEMISTRY AND PHYSICS OF LIPIDS, 1972, 14 (01) : 29 - +
[5] ELECTRON ATTACHMENT TO CYCLIC ANHYDRIDES AND RELATED COMPOUNDS
COOPER, CD
COMPTON, RN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (07) : 3550 - 3565
[6] DALAL NS, PRIVATE COMMUNICATIO
[7] INFRARED SPECTRUM OF CARBON DIOXIDE ANION RADICAL
HARTMAN, KO
HISATSUNE, IC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1913 - +
[8] KRAUSS M, 1972, CHEM PHYS LIPIDS, V14, P26, DOI 10.1016/0009-2614(72)87132-X
[9] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840
[10] ELECTRON SPIN RESONANCE AND STRUCTURE OF THE CO2- RADICAL ION
OVENALL, DW
WHIFFEN, DH
[J]. MOLECULAR PHYSICS, 1961, 4 (02) : 135 - 144