SIMPLE BASIS SETS FOR MOLECULAR WAVEFUNCTIONS CONTAINING ATOMS FROM Z=2 TO Z=54

被引：129

作者：

ROETTI, C ^{[1
]}

CLEMENTI, E ^{[1
]}

机构：

[1] IBM RES LAB,SAN JOSE,CA 95193

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 12期

关键词：

D O I：

10.1063/1.1680973

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

收藏

页码：4725 / 4729

页数：5

相关论文

共 12 条

[1] THE INTEGRAL FORMULAE FOR THE VARIATIONAL SOLUTION OF THE MOLECULAR MANY-ELECTRON WAVE EQUATION IN TERMS OF GAUSSIAN FUNCTIONS WITH DIRECT ELECTRONIC CORRELATION
BOYS, SF
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 258 (1294): : 402 - 411
[2] BOYS SF, 1950, P R SOC A, V200, P520
[3] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[4] SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) : 33 - &
[5] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) : 1944 - &
[6] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS .2. ATOMS WITH 37 TO 86 ELECTRONS
CLEMENTI, E
RAIMONDI, DL
REINHARDT, WP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) : 1300 - +
[7] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
[J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &
[8] SIMPLE BASIS SET FOR MOLECULAR WAVE-FUNCTIONS CONTAINING 3RD-ROW ATOMS
CLEMENTI, E
MATCHA, R
VEILLARD, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) : 1865 - &
[9] Clementi E., 1966, J COMPUT PHYS, V1, P223
[10] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST-ROW AND SECOND-ROW ATOMS
HUZINAGA, S
ARNAU, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) : 451 - &