A NEW EFFICIENT METHOD FOR LOCATING SADDLE POINTS

被引：52

作者：

BELL, S ^{[1
]}

CRIGHTON, JS ^{[1
]}

FLETCHER, R ^{[1
]}

机构：

[1] UNIV DUNDEE,DEPT MATH,DUNDEE DD1 4HN,SCOTLAND

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 82卷 / 01期

关键词：

D O I：

10.1016/0009-2614(81)85120-2

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：122 / 126

页数：5

共 16 条

[1] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
BENDER, CF
SCHAEFER, HF
ONEIL, SV
PEARSON, PK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) : 4626 - &
[2] Broyden C. G., 1970, Journal of the Institute of Mathematics and Its Applications, V6, P222
[3] Broyden C. G., 1970, J I MATH ITS APPL, V6, P76, DOI DOI 10.1093/IMAMAT/6.1.76
[4] FLETCHER F, 1980, PRACTICAL METHODS OP, V1
[5] FUNCTION MINIMIZATION BY CONJUGATE GRADIENTS
FLETCHER, R
REEVES, CM
[J]. COMPUTER JOURNAL, 1964, 7 (02) : 149 - &
[6] POTENTIAL-ENERGY CHARACTERISTICS AND ENERGY PARTITIONING IN CHEMICAL-REACTIONS - ABINITIO MO STUDY OF 4-CENTERED ELIMINATION-REACTION CH3CH2F-]CH2=CH2+HF
KATO, S
MOROKUMA, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (08) : 3900 - 3914
[7] EFFICIENT DETERMINATION AND CHARACTERIZATION OF TRANSITION-STATES USING ABINITIO METHODS
KOMORNICKI, A
ISHIDA, K
MOROKUMA, K
DITCHFIELD, R
CONRAD, M
[J]. CHEMICAL PHYSICS LETTERS, 1977, 45 (03) : 595 - 602
[8] STRUCTURE OF TRANSITION-STATES IN ORGANIC REACTIONS - GENERAL THEORY AND AN APPLICATION TO CYCLOBUTENE-BUTADIENE ISOMERIZATION USING A SEMIEMPIRICAL MOLECULAR-ORBITAL METHOD
MCIVER, JW
KOMORNIC.A
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (08) : 2625 - &
[9] H+F2-]HF+F REACTION - AB-INITIO POTENTIAL-ENERGY SURFACE
ONEIL, SV
PEARSON, PK
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1126 - 1131
[10] A NEW METHOD FOR MINIMISING A SUM OF SQUARES WITHOUT CALCULATING GRADIENTS
PECKHAM, G
[J]. COMPUTER JOURNAL, 1970, 13 (04) : 418 - &

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