EVEN-TEMPERED ATOMIC ORBITALS .2. ATOMIC SCF WAVEFUNCTIONS IN TERMS OF EVEN-TEMPERED EXPONENTIAL BASES

被引：216

作者：

RAFFENETTI, RC

机构：

[1] IOWA STATE UNIV, DEPT CHEM, AMES, IA 50010 USA

[2] ATOM ENERGY COMM, AMES LAB, AMES, IA 50010 USA

来源：

关键词：

D O I：

10.1063/1.1679962

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：5936 / 5949

页数：14

共 24 条

[11] MANN JB, 1967, LA3691 LOS AL SCIENT
[12] CRITERIA FOR CONSTRUCTION OF GOOD SELF-CONSISTENT-FIELD MOLECULAR ORBITAL WAVE FUNCTIONS, AND SIGNIFICANCE OF LCAO-MO POPULATION ANALYSIS
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (12) : 3428 - &
[13] ONE-ELECTRON PROPERTIES OF NEAR-HARTREE-FOCK WAVEFUNCTIONS .I. WATER
NEUMANN, D
MOSKOWITZ, JW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2056 - +
[14] POWELL MJD, QCPE60 IND U PROGR
[15] RAFFENETTI RC, 1971, THESIS IOWA STATE U
[16] RAFFENETTI RC, IS3195 IOW STAT U AM
[17] DOUBLE-ZETA SCF MO CALCULATION OF GROUND AND SOME EXCITED STATES OF N2
RICHARDSON, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (05) : 1829 - &
[18] Roothaan C., 1963, METHODS COMPUTATIONA, V2, P47
[19] RUEDENBERG K, 1973, 1972 P BOULD SEM RES, P164
[20] SAXENA KMS, 1970, TR197001 SIM FRAS U