ON THE BEEBE-LINDERBERG 2-ELECTRON INTEGRAL APPROXIMATION

被引：156

作者：

ROEGGEN, I

WISLOFFNILSSEN, E

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 132卷 / 02期

关键词：

D O I：

10.1016/0009-2614(86)80099-9

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：154 / 160

页数：7

共 20 条

[1] Simplifications in the Generation and Transformation of Two-Electron Integrals in Molecular Calculations [J].

Beebe, Nelson H. F. ;

Linderberg, Jan .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (04) :683-705

[2] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J].

BONIFACIC, V ;

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2779-2786

[3] PSEUDOPOTENTIAL CALCULATION OF BONDING OF COPPER IN CU2 AND CUCL [J].

DIXON, RN ;

ROBERTSON, IL .

MOLECULAR PHYSICS, 1978, 36 (04) :1099-1112

[4]

Gaydon A. G., 1953, DISSOCIATION ENERGIE

[5] NEW FOUNDATION FOR USE OF PSEUDOPOTENTIALS IN METALS [J].

GODDARD, WA .

PHYSICAL REVIEW, 1968, 174 (03) :659-&

[6]

Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV

[7] ELECTRONIC-STRUCTURE AND SPECTRA OF THE X1SIGMA+G AND A1SIGMA+U STATES OF LI2 [J].

KONOWALOW, DD ;

OLSON, ML .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) :450-457

[8]

Martin R.S., 1965, NUMER MATH, V7, P362

[9] AB-INITIO CALCULATIONS ON VALENCE-SHELL MOLECULAR-ORBITALS [J].

MURRELL, JN ;

VINCENT, IG .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 :890-901

[10] EFFECTIVE CORE POTENTIAL CALCULATIONS USING FROZEN ORBITALS - APPLICATIONS TO TRANSITION-METALS [J].

PETTERSSON, LGM ;

WAHLGREN, U ;

GROPEN, O .

CHEMICAL PHYSICS, 1983, 80 (1-2) :7-16

← 1 2 →