GRID METHODS FOR SOLVING THE SCHRODINGER-EQUATION AND TIME-DEPENDENT QUANTUM DYNAMICS OF MOLECULAR PHOTOFRAGMENTATION AND REACTIVE SCATTERING PROCESSES

被引：253

作者：

BALINTKURTI, GG

DIXON, RN

MARSTON, CC

机构：

[1] School of Chemistry, University of Bristol, Bristol

[2] Max-Planck-Institüt für Stromungsforschung, Gottingen, D-3400

来源：

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY | 1992年 / 11卷 / 02期

关键词：

D O I：

10.1080/01442359209353274

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：

This review will concentrate on new theoretical methods for solving the quantum dynamics of molecular systems. The approach will be that of solving the time dependent Schrodinger equation, and extracting from it the measurable quantities of experimental interest. Applications to the modelling of molecular photodissociation processes and to the theory of reactive molecular collisions will be discussed.

引用

页码：317 / 344

页数：28

共 58 条

[1] ASKAR A, 1979, J CHEM PHYS, V68, P2749
[2] BACIC Z, 1988, J CHEM PHYS, V89, P947, DOI 10.1063/1.455163
[3] PHOTOFRAGMENTATION OF TRIATOMIC-MOLECULES - THEORY OF ANGULAR AND STATE DISTRIBUTION OF PRODUCT FRAGMENTS
BALINTKURTI, GG
SHAPIRO, M
[J]. CHEMICAL PHYSICS, 1981, 61 (1-2) : 137 - 155
[4] TIME-DEPENDENT QUANTUM DYNAMICS OF MOLECULAR PHOTOFRAGMENTATION PROCESSES
BALINTKURTI, GG
DIXON, RN
MARSTON, CC
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (10): : 1741 - 1749
[5] 2 COMPUTER-PROGRAMS FOR SOLVING THE SCHRODINGER-EQUATION FOR BOUND-STATE EIGENVALUES AND EIGENFUNCTIONS USING THE FOURIER GRID HAMILTONIAN METHOD
BALINTKURTI, GG
WARD, CL
MARSTON, CC
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1991, 67 (02) : 285 - 292
[6] BALINTKURTI GG, 1979, J CHEM PHYS, V71, P1461
[7] ABINITIO CALCULATIONS OF ELECTRONIC AND VIBRATIONAL ENERGIES OF HCO AND HOC
BOWMAN, JM
BITTMAN, JS
HARDING, LB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (02) : 911 - 921
[8] RESONANCE RAMAN-STUDY OF THE 1ST ABSORPTION-BAND OF H2S
BRUDZYNSKI, RJ
SENSION, RJ
HUDSON, B
[J]. CHEMICAL PHYSICS LETTERS, 1990, 165 (06) : 487 - 493
[9] THE COMPLEX-SCALING FOURIER-GRID HAMILTONIAN METHOD FOR RESONANCE STATE PROBLEMS
CHU, SI
[J]. CHEMICAL PHYSICS LETTERS, 1990, 167 (1-2) : 155 - 157
[10] COLBERT DT, 1992, J CHEM PHYS, V96

← 1 2 3 4 5 6 →