MULTI-CONFIGURATION SELF-CONSISTENT FIELD THEORY WITH NON-ORTHOGONAL ORBITALS

被引:7
作者
BENSTON, ML
CHONG, DP
机构
关键词
D O I
10.1080/00268976800100561
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:449 / &
相关论文
共 14 条
[1]   ORBITAL SELF-CONSISTENT-FIELD THEORY .I. GENERAL THEORY FOR MULTICONFIGURATIONAL WAVE FUNCTIONS [J].
ADAMS, WH .
PHYSICAL REVIEW, 1967, 156 (01) :109-&
[2]  
BIRSS FW, 1962, J CHEM PHYS, V38, P2552
[3]   EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&
[4]  
Dyadyusha G., 1966, THEOR EXP CHEM+, V1, P262
[5]  
FRAGA S, 1964, THEOR CHIM ACTA, V2, P403, DOI 10.1007/BF00526588
[6]   OPTIMUM-MULTICONFIGURATION SELF-CONSISTENT-FIELD EQUATIONS [J].
GILBERT, TL .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S248-+
[7]  
HINZE J, 1967, PROG THEOR PHYS, V40, P37
[8]   CONSTANT ENERGY + MINIMUM ENERGY ORTHOGONALIZATION [J].
JOY, HW ;
HANDLER, GS ;
SCHAAD, LJ .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (07) :2026-&
[9]  
LOWDIN PO, 1959, ADV CHEM PHYS, V2, P207
[10]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89