SOLUTION FOR BOUND-STATE WAVEFUNCTIONS AND MATRIX-ELEMENTS BY PIECEWISE ANALYTIC METHOD

被引:36
作者
DUNKER, AM [1 ]
GORDON, RG [1 ]
机构
[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
关键词
D O I
10.1063/1.432149
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:4984 / 4994
页数:11
相关论文
共 29 条
[1]  
ABRAMOWITZ M, 1964, NBS APPL MATH SER 55, P446
[2]  
Allison A. C., 1970, Journal of Computational Physics, V6, P378, DOI 10.1016/0021-9991(70)90037-9
[3]  
BUSINGER PA, COLLECTED ALGORITHMS
[4]  
Cooley JW., 1961, MATH COMPUT, V15, P363, DOI [10.2307/2003025, DOI 10.2307/2003025]
[5]   CALCULATIONS ON HCL-AR VANDERWAALS COMPLEX [J].
DUNKER, AM ;
GORDON, RG .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (01) :354-363
[6]  
DUNKER AM, TO BE PUBLISHED
[7]   Forces in molecules [J].
Feynman, RP .
PHYSICAL REVIEW, 1939, 56 (04) :340-343
[8]  
FORSYTHE GE, 1967, COMPUTER SOLUTION LI, pCH15
[9]  
GOLUB G. H., 1965, SIAM J NUMER ANAL, V2, P205, DOI [10.1137/0702016, DOI 10.1137/0702016]
[10]   SINGULAR VALUE DECOMPOSITION AND LEAST SQUARES SOLUTIONS [J].
GOLUB, GH ;
REINSCH, C .
NUMERISCHE MATHEMATIK, 1970, 14 (05) :403-&