BLOCK LANCZOS APPROACH COMBINED WITH MATRIX CONTINUED-FRACTION FOR THE S-MATRIX KOHN VARIATIONAL PRINCIPLE IN QUANTUM SCATTERING

被引:20
作者
YANG, WT
MILLER, WH
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & CHEM SCI,BERKELEY,CA 94720
关键词
D O I
10.1063/1.456880
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:3504 / 3508
页数:5
相关论文
共 32 条
[1]  
Cullum J. K., 1985, LANCZOS ALGORITHMS L, V1
[2]  
HAGEMAN LA, 1981, APPLIED ITERATIVE ME
[3]   L-2 SOLUTION OF THE QUANTUM-MECHANICAL REACTIVE SCATTERING PROBLEM - THE THRESHOLD ENERGY FOR D + H-2(V=1) -] HD + H [J].
HAUG, K ;
SCHWENKE, DW ;
SHIMA, Y ;
TRUHLAR, DG ;
ZHANG, J ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (26) :6757-6759
[4]  
HAYDOCK R, 1980, SOLID STATE PHYS, V35, P215
[5]  
HELLER E, 1985, J MOL SPECTROSC, V111, P377
[6]  
Jones R., 1985, Recursion Method and Its Applications. Proceedings of a Conference, P132
[7]   RESONANCE TRANSITION-PROBABILITIES BY THE COMPLEX LANCZOS RECURSION METHOD [J].
KOLIN, O ;
LEFORESTIER, C ;
MOISEYEV, N .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (11) :6836-6840
[8]   QUANTUM SCATTERING VIA THE LOG DERIVATIVE VERSION OF THE KOHN VARIATIONAL PRINCIPLE [J].
MANOLOPOULOS, DE ;
WYATT, RE .
CHEMICAL PHYSICS LETTERS, 1988, 152 (01) :23-32
[9]   INTERRELATION BETWEEN VARIATIONAL-PRINCIPLES FOR SCATTERING-AMPLITUDES AND GENERALIZED R-MATRIX THEORY [J].
MCCURDY, CW ;
RESCIGNO, TN ;
SCHNEIDER, BI .
PHYSICAL REVIEW A, 1987, 36 (05) :2061-2066
[10]  
MILEFELD KF, 1983, CHEM PHYS LETT, V51, P947