GAUSSIAN LOBE FUNCTION EXPANSIONS OF HARTREE-FOCK SOLUTIONS FOR FIRST-ROW ATOMS AND ETHYLENE

被引：489

作者：

WHITTEN, JL

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1966年 / 44卷 / 01期

关键词：

D O I：

10.1063/1.1726470

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：359 / &

相关论文

共 12 条

[1] BOYS SF, 1950, P ROY SOC LONDON, VA200, P542
[2] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[3] ACCURAT ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS .2. LOWEST CONFIGURATIONS OF NEUTRAL FIRST ROW ATOMS
CLEMENTI, E
YOSHIMINE, M
ROOTHAAN, CC
[J]. PHYSICAL REVIEW, 1962, 127 (05): : 1618 - &
[4] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) : 1944 - &
[5] MANY-CENTER WAVEFUNCTIONS FOR HYDROGEN MOLECULE + HYDROGEN MOLECULAR ION
HOYLAND, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (12) : 3540 - &
[6] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[7] ETHYLENE MOLECULE IN A GAUSSIAN BASIS .I. A SELF-CONSISTENT-FIELD CALCULATION
MOSKOWIT.JW
HARRISON, MC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (05) : 1726 - &
[8] CORRELATION ENERGY OF ETHYLENE AND ACETYLENE
MOSKOWITZ, JW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (01) : 60 - +
[9] 1S ORBITALS AS BASE FUNCTIONS FOR MOLECULAR CALCULATIONS
PARR, RG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (02) : 428 - 428
[10] PREUSS H, 1956, Z NATURFORSCH PT A, V11, P823