Semiclassical calculation of Franck-Condon intensities for reactive systems

被引：38

作者：

Spath, BW ^{[1
]}

Miller, WH ^{[1
]}

机构：

[1] LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 262卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(96)01112-8

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 Filinov transformation of the initial value representation of the semiclassical propagator has been used to obtain Franck-Condon intensities for a model of the photodetachment of H-3(-) --> H + H-2 + e(-). Resonance peak widths and heights are obtained which are in good agreement with quantum results.

引用

收藏

页码：486 / 494

页数：9

相关论文

共 36 条

[1] SEMICLASSICAL PROPAGATION - PHASE INDEXES AND THE INITIAL-VALUE FORMALISM [J].

CAMPOLIETI, G ;

BRUMER, P .

PHYSICAL REVIEW A, 1994, 50 (02) :997-1018

[2] SEMICLASSICAL COLLISION-THEORY IN THE INITIAL-VALUE REPRESENTATION - EFFICIENT NUMERICS AND REACTIVE FORMALISM [J].

CAMPOLIETI, G ;

BRUMER, P .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (08) :5969-5982

[3] PARTIAL AVERAGING APPROACH TO FOURIER COEFFICIENT PATH INTEGRATION [J].

COALSON, RD ;

FREEMAN, DL ;

DOLL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4567-4583

[4] FOURIER PATH-INTEGRAL MONTE-CARLO METHODS - PARTIAL AVERAGING [J].

DOLL, JD ;

COALSON, RD ;

FREEMAN, DL .

PHYSICAL REVIEW LETTERS, 1985, 55 (01) :1-4

[5]

FILINOV VS, 1986, NUCL PHYS B, V271, P717, DOI 10.1016/S0550-3213(86)80034-7

[6]

GARASHCHUK S, IN PRESS

[7] A SEMICLASSICAL CORRELATION-FUNCTION APPROACH TO BARRIER TUNNELING [J].

GROSSMANN, F ;

HELLER, EJ .

CHEMICAL PHYSICS LETTERS, 1995, 241 (1-2) :45-50

[8]

GROSSMANN F, IN PRESS

[9]

Gutzwiller MC, 1990, CHAOS CLASSICAL QUAN

[10] CELLULAR-DYNAMICS - A NEW SEMICLASSICAL APPROACH TO TIME-DEPENDENT QUANTUM-MECHANICS [J].

HELLER, EJ .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (04) :2723-2729

← 1 2 3 4 →