ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .5. SCF CALCULATIONS WITH OMEGA-OMEGA COUPLING INCLUDING RESULTS FOR AU2+, TIH, PBS, AND PBSE

被引：77

作者：

LEE, YS

ERMLER, WC

PITZER, KS

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 73卷 / 01期

关键词：

D O I：

10.1063/1.439881

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：360 / 366

页数：7

共 30 条

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[5] Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X
[6] RELATIVISTIC ENERGY-LEVELS OF FE-XXI
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[7] ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .2. POTENTIAL-ENERGY CURVES FOR XE-2, XE+2, AND XE-STAR-2
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[8] ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .4. POTENTIAL-ENERGY CURVES FOR THE GROUND AND SEVERAL EXCITED-STATES OF AU2
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PITZER, KS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) : 293 - 298
[9] SINGLE-CONFIGURATION WAVEFUNCTIONS AND POTENTIAL CURVES FOR LOW-LYING STATES OF HE2+,NE2+,AR2+,F2-,CL2- AND GROUND STATE OF CL2
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) : 5247 - &
[10] Herzberg G., 1950, ELECT SPECTRA ELECT

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