SCF POTENTIAL CURVES FOR AIH AND AIH+ IN ATTRACTIVE AND REPULSIVE REGIONS

被引：27

作者：

SABELLI, NH

KANTOR, M

BENEDEK, R

GILBERT, TL

机构：

[1] ARGONNE NATL LAB,DIV MAT SCI,ARGONNE,IL 60439

[2] ARGONNE NATL LAB,DIV SOLID STATE SCI,ARGONNE,IL 60439

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 68卷 / 06期

关键词：

D O I：

10.1063/1.436068

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：2767 / 2774

页数：8

共 26 条

[1] HARTREE-FOCK WAVEFUNCTIONS OF NOMINAL ACCURACY FOR HE THROUGH RB+ CALCULATED BY EXPANSION METHOD [J].

BAGUS, PS ;

GILBERT, TL ;

ROOTHAAN, CC .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :5195-&

[2] MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .2. CLOSED-SHELL 2ND-ROW DIATOMIC HYDRIDES [J].

BARTLETT, RJ ;

SILVER, DM .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) :4578-4586

[3] CORE OVERLAP INTERACTIONS IN METALS [J].

BENEDEK, R .

PHYSICAL REVIEW B, 1977, 15 (06) :2902-2913

[4] MOLECULAR-ORBITAL CALCULATIONS FOR CLOSE ATOMIC COLLISIONS - N2 SYSTEM [J].

BRIGGS, JS ;

HAYNS, MR .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (03) :514-520

[5]

CADE PE, 1967, J CHEM PHYS, V47, P649, DOI 10.1063/1.1711939

[6] CORRELATION ENERGY FOR ATOMIC SYSTEMS .2. ISOELECTRONIC SERIES WITH 11 TO 18 ELECTRONS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) :175-&

[7]

DAS G, 1972, ANL7955 REP

[8] MOLECULAR-ORBITAL CORRELATION DIAGRAMS FOR HE-2, HE-2(+), N-2, N-2(+), CO, AND CO+ [J].

ERMLER, WC ;

MULLIKEN, RS ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (07) :3031-3038

[9]

FIRSOV OB, 1958, SOV PHYS JETP-USSR, V6, P534

[10]

FIRSOV OB, 1957, SOV PHYS JETP-USSR, V5, P1192

← 1 2 3 →