THEORETICAL DETERMINATION OF THE X-2-SIGMA+ AND A-2-PI POTENTIALS OF CSO USING RELATIVISTIC EFFECTIVE CORE POTENTIALS

被引：15

作者：

LASKOWSKI, BC

LANGHOFF, SR

SIEGBAHN, PEM

机构：

[1] INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

[2] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 02期

关键词：

D O I：

10.1002/qua.560230218

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：483 / 490

页数：8

共 20 条

[1]

ALLISON JN, UNPUB J CHEM PHYS

[2]

Bagus P. S., COMMUNICATION

[3] IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS [J].

CHRISTIANSEN, PA ;

LEE, YS ;

PITZER, KS .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) :4445-4450

[4] RADIO-FREQUENCY SPECTRUM OF X 2II STATE OF LI-7-O-16 [J].

FREUND, SM ;

KLEMPERER, W ;

MARIELLA, RP ;

HERBST, E .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1467-+

[5]

GRAY DE, 1972, AM I PHYSICS HDB

[6] MOLECULAR BEAN KINETICS - REACTIONS OF ALKALI ATOMS WITH NO2 AND CH3NO2 [J].

HERM, RR ;

HERSCHBA.DR .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5783-&

[7]

Hotop H., 1975, Journal of Physical and Chemical Reference Data, V4, P539, DOI 10.1063/1.555524

[8] EQUIVALENCE-RESTRICTED OPEN-SHELL SCF THEORY [J].

JACKELS, CF ;

DAVIDSON, ER .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (05) :707-714

[9] ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS [J].

KAHN, LR ;

BAYBUTT, P ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) :3826-3853

[10] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].

LANGHOFF, SR ;

DAVIDSON, ER .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72

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