CALCULATION OF INTEGRALS OVER ABINITIO PSEUDOPOTENTIALS

被引：68

作者：

MCMURCHIE, LE

DAVIDSON, ER

机构：

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 1981年 / 44卷 / 02期

关键词：

D O I：

10.1016/0021-9991(81)90053-X

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

页码：289 / 301

页数：13

共 9 条

[1]

Abramowitz M., 1964, HDB MATH FUNCTIONS

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

CHRISTIANSEN, PA ;

LEE, YS ;

PITZER, KS .

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

[3]

GRADSHTEYN IS, 1965, TABLE INTEGRALS SERI, P716

[4] AB-INITIO STUDIES OF THE ELECTRONIC-STRUCTURE OF UF6, UF6+, AND UF-6 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS [J].

HAY, PJ ;

WADT, WR ;

KAHN, LR ;

RAFFENETTI, RC ;

PHILLIPS, DH .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04) :1767-1779

[5] AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR CALCULATIONS [J].

KAHN, LR ;

GODDARD, WA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :2685-&

[6] 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

[7]

MORSE PM, 1953, METHODS THEORETICAL, P552

[8]

ROSSER JB, 1948, THEORY APPLICATION 1

[9]

TOPIOL S, ERDA REPORT

← 1 →