学术探索
学术期刊
新闻热点
数据分析
智能评审

ANALYTIC BANDED APPROXIMATION FOR THE DISCRETIZED FREE PROPAGATOR

被引：142
作者：
HOFFMAN, DK
NAYAR, N
SHARAFEDDIN, OA
KOURI, DJ
机构：
[1] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77204
[2] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
[3] IOWA STATE UNIV SCI & TECHNOL,AMES LAB,AMES,IA 50011
[4] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 21期
关键词：
D O I：
10.1021/j100174a052
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：
A procedure for obtaining an approximate sparse (banded) matrix for the coordination representation of the free-particle propagator is presented. The technique takes advantage of the fact that the action of the free propagator on Hermite polynomials can be obtained analytically and represents the propagator in terms of its effect on the Hermite basis.
引用
收藏
页码：8299 / 8305
页数：7
相关论文
共 121 条
  • [31] TIME-DEPENDENT APPROACH TO SEMICLASSICAL DYNAMICS
    HELLER, EJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) : 1544 - 1555
  • [32] SIMPLE ASPECTS OF RAMAN-SCATTERING
    HELLER, EJ
    SUNDBERG, RL
    TANNOR, D
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (10) : 1822 - 1833
  • [33] HENDRIKSEN NE, 1988, CHEM PHYS LETT, V148, P277
  • [34] ON THE ROLE OF PARALLEL ARCHITECTURE SUPERCOMPUTERS IN TIME-DEPENDENT APPROACHES TO QUANTUM SCATTERING
    HOFFMAN, DK
    SHARAFEDDIN, OA
    KOURI, DJ
    CARTER, M
    NAYAR, N
    GUSTAFSON, J
    [J]. THEORETICA CHIMICA ACTA, 1991, 79 (3-4): : 297 - 311
  • [35] TIME-DEPENDENT TREATMENT OF SCATTERING - INTEGRAL-EQUATION APPROACHES USING THE TIME-DEPENDENT AMPLITUDE DENSITY
    HOFFMAN, DK
    SHARAFEDDIN, O
    JUDSON, RS
    KOURI, DJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (07) : 4167 - 4177
  • [36] HOFFMAN DK, UNPUB J CHEM PHYS
  • [37] HYBRID MECHANICS .2.
    HUBER, D
    LING, S
    IMRE, DG
    HELLER, EJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (12) : 7317 - 7329
  • [38] GENERALIZED GAUSSIAN WAVE PACKET DYNAMICS
    HUBER, D
    HELLER, EJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (09) : 5302 - 5311
  • [39] HYBRID MECHANICS - A COMBINATION OF CLASSICAL AND QUANTUM-MECHANICS
    HUBER, D
    HELLER, EJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (08) : 4752 - 4760
  • [40] CHEMICAL-DYNAMICS STUDIED BY EMISSION-SPECTROSCOPY OF DISSOCIATING MOLECULES
    IMRE, D
    KINSEY, JL
    SINHA, A
    KRENOS, J
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (18) : 3956 - 3964
12345678910