GAUSSIAN GEMINAL BASIS SET OPTIMIZATION WITH CRUDE SCF REFERENCE STATE

被引:38
作者
ADAMOWICZ, L
SADLEJ, AJ
机构
[1] POLISH ACAD SCI,INST PHYS CHEM,PL-00961 WARSAW,POLAND
[2] POLISH ACAD SCI,INST ORGAN CHEM,PL-00961 WARSAW,POLAND
关键词
D O I
10.1016/0009-2614(77)80320-5
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:305 / 310
页数:6
相关论文
共 19 条
[1]  
ADAMOWICZ L, TO BE PUBLISHED
[2]   MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .1. CLOSED-SHELL FIRST-ROW DIATOMIC HYDRIDES [J].
BARTLETT, RJ ;
SILVER, DM .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3258-3268
[3]   CORRELATION EFFECTS IN ATOMS .2. ANGULAR CORRELATIONS BETWEEN ELECTRONS [J].
BYRON, FW ;
JOACHAIN, CJ .
PHYSICAL REVIEW, 1967, 157 (01) :1-&
[4]   CORRELATION EFFECTS IN ATOMS .3. 4-ELECTRON SYSTEMS [J].
BYRON, FW ;
JOACHAIN, CJ .
PHYSICAL REVIEW, 1967, 157 (01) :7-&
[5]   NEW TECHNIQUES FOR COMPUTATION OF MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) WAVEFUNCTIONS [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1769-&
[6]   ERRORS IN CALCULATIONS OF 1ST-ORDER AND 2ND-ORDER ENERGY PERTURBATIONS [J].
HAMEKA, HF ;
SVENDSEN, EN .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (02) :249-259
[7]   MANY-BODY PERTURBATION-THEORY CALCULATIONS WITH FINITE, BOUND BASIS SETS [J].
KALDOR, U .
PHYSICAL REVIEW A, 1973, 7 (02) :427-434
[8]   GAUSSIAN CORRELATION FUNCTIONS - 2-ELECTRON SYSTEMS [J].
LESTER, WA ;
KRAUSS, M .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) :1407-&
[9]   CORRECTION [J].
LESTER, WA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (08) :2990-&
[10]   A SURVEY OF GAUSSIAN 2-ELECTRON FUNCTIONS .1. THE GROUND STATE OF THE HELIUM ATOM [J].
LONGSTAFF, JVL ;
SINGER, K .
THEORETICA CHIMICA ACTA, 1964, 2 (03) :265-280