VARIATIONAL CALCULATIONS ON MANY-ELECTRON DIATOMIC-MOLECULES USING HYLLERAAS-TYPE WAVEFUNCTIONS

被引：40

作者：

CLARY, DC ^{[1
]}

机构：

[1] UNIV CAMBRIDGE,DEPT THEORET CHEM,CHEM LAB,CAMBRIDGE CB2 1EW,ENGLAND

来源：

MOLECULAR PHYSICS | 1977年 / 34卷 / 03期

关键词：

D O I：

10.1080/00268977700102111

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：793 / 811

页数：19

共 28 条

[21] DISSOCAIATION ENERGY OF HE2=(2SIGMAU=) [J].

REAGAN, PN ;

BROWNE, JC ;

MATSEN, FA .

PHYSICAL REVIEW, 1963, 132 (01) :304-&

[22] 2-CENTER INTEGRALS INVOLVING CORRELATED ORBITALS .1. INCLUSION OF JAMES-COOLIDGE OR HYLLERAAS RN/IJ TERMS [J].

ROTHSTEIN, EV .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1971, 3 (05) :1581-+

[23] COMBINED CONFIGURATION-INTERACTION-HYLLERAAS-TYPE WAVE-FUNCTION STUDY OF GROUND STATE OF BERYLLIUM ATOM [J].

SIMS, JS ;

HAGSTROM, S .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1971, 4 (03) :908-+

[24] UPPER AND LOWER BOUNDS TO ATOMIC AND MOLECULAR PROPERTIES .2. ELECTRIC POLARIZABILITIES OF 4-ELECTRON ATOMS BY A LOWER-BOUND PROCEDURE [J].

SIMS, JS ;

RUMBLE, JR .

PHYSICAL REVIEW A, 1973, 8 (05) :2231-2235

[25] ONE-CENTER RIJ INTEGRALS OVER SLATER-TYPE ORBITALS [J].

SIMS, JS ;

HAGSTROM, SA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4699-&

[26] NONRELATIVISTIC ENERGY OF GROUND-STATE OF LI- AND ELECTRON AFFINITY OF LITHIUM [J].

SIMS, JS ;

HAGSTROM, SA ;

MUNCH, D ;

BUNGE, CF .

PHYSICAL REVIEW A, 1976, 13 (02) :560-562

[27] ANALYTIC SELF-CONSISTENT FIELD WAVEFUNCTIONS + COMPUTED PROPERTIES FOR HOMONUCLEAR DIATOMIC MOLECULES [J].

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2600-&

[28] CONFIGURATION INTERACTION IN SIMPLE ATOMIC SYSTEMS [J].

WEISS, AW .

PHYSICAL REVIEW, 1961, 122 (06) :1826-&

← 1 2 3 →