POLARIZATION GAUSSIAN P-FUNCTIONS FOR BERYLLIUM ATOM - ABINITIO CALCULATIONS ON BEH2 AND BEH+

被引：4

作者：

MEZEY, PG

CSIZMADIA, IG

STRAUSZ, OP

机构：

[1] UNIV TORONTO,DEPT CHEM,TORONTO,ONTARIO,CANADA

[2] UNIV ALBERTA,DEPT CHEM,EDMONTON,ALBERTA,CANADA

来源：

CANADIAN JOURNAL OF PHYSICS | 1975年 / 53卷 / 22期

关键词：

D O I：

10.1139/p75-305

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

收藏

页码：2512 / 2516

页数：5

相关论文

共 13 条

[1] AB-INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .4. A STUDY OF MOLECULES BEH2, BE2H4 AND BE3H6
AHLRICHS, R
[J]. THEORETICA CHIMICA ACTA, 1970, 17 (05): : 348 - &
[2] AB INITIO STUDIES ON BEH+ (X1SIGMA+)
BROWN, RE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) : 2879 - +
[3] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) : 614 - &
[4] CONFIRMATION OF PREDICTED HARTREE-FOCK LIMIT IN BEH2
GOLDBERG, MC
RITER, JR
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (09) : 3111 - &
[5] HARRIS FE, 1967, INT J QUANTUM CHEM, V1, P329
[6] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[7] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
HUZINAGA, S
SAKAI, Y
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &
[8] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .3.
HUZINAGA, S
ARNAU, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) : 2224 - &
[9] QUALITY OF GAUSSIAN BASIS SETS - DIRECT OPTIMIZATION OF ORBITAL EXPONENTS BY METHOD OF CONJUGATE GRADIENTS
KARI, RE
MEZEY, PG
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) : 581 - 585
[10] KARI RE, IN PRESS