VARIATIONAL-PRINCIPLES FOR THE TIME-INDEPENDENT WAVE-PACKET-SCHRODINGER AND WAVE-PACKET-LIPPMANN-SCHWINGER EQUATIONS

被引:75
作者
KOURI, DJ
HUANG, YH
ZHU, W
HOFFMAN, DK
机构
[1] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204
[2] IOWA STATE UNIV,DEPT CHEM,AMES,IA 50011
[3] IOWA STATE UNIV,AMES LAB,AMES,IA 50011
关键词
D O I
10.1063/1.466354
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
Several variational principles, whose Euler equations are the recently derived time-independent wave-packet-Schrodinger or wave-packet-Lippmann-Schwinger equations, are presented. A particularly attractive wave-packet-Kohn variational principle for either the T- or S-matrix is given which yields inhomogeneous algebraic equations whose ''universal inhomogeneity'' does not depend explicitly on the collision energy. The validity of the approach is demonstrated with calculations for two simple one dimensional scattering problems and for the collinear H+H-2 reactive scattering problem.
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页码:3662 / 3671
页数:10
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