TRANSLATION-ROTATION INVARIANCE FOR N-PARTICLE SYSTEMS - INTERNAL COORDINATES AND SEARCH FOR STATIONARY-POINTS IN REDUCED SPACES

被引：11

作者：

BANERJEE, A

JENSEN, JO

SIMONS, J

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 07期

关键词：

D O I：

10.1063/1.449154

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

页码：3500 / 3506

页数：7

共 19 条

[1] SEARCH FOR STATIONARY-POINTS ON SURFACE [J].

BANERJEE, A ;

ADAMS, N ;

SIMONS, J ;

SHEPARD, R .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (01) :52-57

[2] TRANSLATIONAL AND ROTATIONAL SYMMETRIES IN INTEGRAL DERIVATIVES [J].

BANERJEE, A ;

JENSEN, JO ;

SIMONS, J .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (10) :4566-4576

[3] MC SCF MOLECULAR GRADIENTS AND HESSIANS - COMPUTATIONAL ASPECTS [J].

BANERJEE, A ;

JENSEN, JO ;

SIMONS, J ;

SHEPARD, R .

CHEMICAL PHYSICS, 1984, 87 (02) :203-214

[4]

BRADLEY GL, 1975, PRIMER LINEAR ALGEBR, P111

[5] ON FINDING TRANSITION-STATES [J].

CERJAN, CJ ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (06) :2800-2806

[6] Some studies concerning rotating axes and polyatomic molecules [J].

Eckart, C .

PHYSICAL REVIEW, 1935, 47 (07) :552-558

[7]

JENSEN JO, UNPUB J CHEM PHYS

[8] ON HYPERSPHERICAL COORDINATES AND MAPPING THE INTERNAL CONFIGURATIONS OF A 3 BODY SYSTEM [J].

JOHNSON, BR .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) :5051-5058

[9] CONSISTENT FORCE FIELD FOR CALCULATIONS OF CONFORMATIONS VIBRATIONAL SPECTRA AND ENTHALPIES OF CYCLOALKANE AND N-ALKANE MOLECULES [J].

LIFSON, S ;

WARSHEL, A .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :5116-&

[10] REACTION-PATH HAMILTONIAN FOR POLYATOMIC-MOLECULES [J].

MILLER, WH ;

HANDY, NC ;

ADAMS, JE .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :99-112

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