ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .3. ANALYSIS OF FORS CONFIGURATIONS

被引：218

作者：

RUEDENBERG, K ^{[1
]}

SCHMIDT, MW ^{[1
]}

GILBERT, MM ^{[1
]}

ELBERT, ST ^{[1
]}

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011

来源：

CHEMICAL PHYSICS | 1982年 / 71卷 / 01期

关键词：

D O I：

10.1016/0301-0104(82)87006-7

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：65 / 78

页数：14

相关论文

共 22 条

[1] MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2-
BALINTKURTI, GG
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) : 478 - +
[2] BOBROWICZ FW, 1977, METHODS ELECTRONIC S, pCH4
[3] RELATIVISTIC ENERGIES OF EXCITED STATES OF ATOMS AND IONS OF SECOND PERIOD
DESCLAUX, JP
MOSER, CM
VERHAEGEN, G
[J]. JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1971, 4 (03): : 296 - +
[4] GENERALIZED VALENCE BOND CALCULATIONS ON GROUND-STATE (X1-SIGMA+(G) OF NITROGEN
DUNNING, TH
CARTWRIGHT, DC
HUNT, WJ
HAY, PJ
BOBROWICZ, FW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) : 4755 - 4766
[5] GILBERT MM, 1977, THESIS IOWA STATE U
[6] GENERALIZED ORBITAL DESCRIPTION OF REACTIONS SMALL MOLECULES
GODDARD, WA
LADNER, RC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (25) : 6750 - &
[7] SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2
HUNT, WJ
HAY, PJ
GODDARD, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) : 738 - &
[8] ROLE OF ATOMIC VALENCE STATES IN MOLECULAR ENERGY CALCULATIONS
HURLEY, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (04) : 532 - 542
[9] ELIMINATION OF ATOMIC ERRORS FROM MOLECULAR CALCULATIONS
HURLEY, AC
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 448 - &
[10] ON THE METHOD OF ATOMS IN MOLECULES .2. AN INTRA-ATOMIC CORRELATION CORRECTION
HURLEY, AC
[J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1956, 69 (01): : 49 - 56