SEARCH FOR SADDLE POINTS OF ENERGY HYPERSURFACES USING A MULTIDIMENSIONAL SPACE OF GUIDING COORDINATES

被引:10
作者
BALINT, I [1 ]
BAN, MI [1 ]
机构
[1] ATTILA JOZSEF UNIV,INST GEN & PHYS CHEM,H-6701 SZEGED,HUNGARY
来源
THEORETICA CHIMICA ACTA | 1983年 / 63卷 / 03期
关键词
D O I
10.1007/BF00569250
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:255 / 268
页数:14
相关论文
共 47 条
[1]  
BALINT I, UNPUB INT J QUANTUM
[2]   A NEW EFFICIENT METHOD FOR LOCATING SADDLE POINTS [J].
BELL, S ;
CRIGHTON, JS ;
FLETCHER, R .
CHEMICAL PHYSICS LETTERS, 1981, 82 (01) :122-126
[3]   POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE [J].
BENDER, CF ;
SCHAEFER, HF ;
ONEIL, SV ;
PEARSON, PK .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4626-&
[4]  
Broyden C. G., 1970, Journal of the Institute of Mathematics and Its Applications, V6, P222
[5]  
Broyden C. G., 1970, J I MATH ITS APPL, V6, P76, DOI DOI 10.1093/IMAMAT/6.1.76
[6]   OPTIMALLY CONDITIONED OPTIMIZATION ALGORITHMS WITHOUT LINE SEARCHES [J].
DAVIDON, WC .
MATHEMATICAL PROGRAMMING, 1975, 9 (01) :1-30
[7]  
DAVIDON WC, 1959, AEC ANL5990 RES DEV
[8]  
EISENHART LP, 1963, RIEMANNIAN GEOMETRY
[9]   A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J].
FLETCHER, R ;
POWELL, MJD .
COMPUTER JOURNAL, 1963, 6 (02) :163-&
[10]  
Fletcher R., 1980, PRACTICAL METHODS OP, V1