GEOMETRY OPTIMIZATION IN ABINITIO SCF CALCULATIONS - THE HYDROGEN CLUSTERS H-7(+),H-9(+),H-11(+),H-13(+)

被引：36

作者：

HUBER, H

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 70卷 / 02期

关键词：

D O I：

10.1016/0009-2614(80)85349-8

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：

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页码：353 / 357

页数：5

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[11] EFFECTIVE SEARCH FOR MINIMA ON ABINITIO SCF ENERGY HYPERSURFACES
HUBER, H
PANCIR, J
CARSKY, P
[J]. COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1977, 42 (09) : 2767 - 2771
[12] GEOMETRY OPTIMIZATION IN AB-INITIO SCF CALCULATIONS - FLOATING ORBITAL GEOMETRY OPTIMIZATION APPLYING THE HELLMANN-FEYNMAN FORCE
HUBER, H
[J]. CHEMICAL PHYSICS LETTERS, 1979, 62 (01) : 95 - 99
[13] 3-BODY ASSOCIATION REACTIONS OF H+ AND H-3(+) IONS IN HYDROGEN FROM 135 TO 300 K
JOHNSEN, R
HUANG, CM
BIONDI, MA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (04) : 1539 - 1541
[14] Further experiments on poisitive rays
Thompson, JJ
[J]. PHILOSOPHICAL MAGAZINE, 1912, 24 (140): : 209 - 253
[15] THEORETICAL-STUDY ON STABILITY AND STRUCTURE OF HN+ (N=3,5,7,9,11)
YAMABE, S
HIRAO, K
KITAURA, K
[J]. CHEMICAL PHYSICS LETTERS, 1978, 56 (03) : 546 - 548
[16] [No title captured]