A dynamical Lie algebraic method for quantum reactive scattering

被引：13

作者：

Guan, DR ^{[1
]}

Yi, XZ

Ding, SL

Yang, BH

Hua, DM

机构：

[1] Shandong Univ, Inst Theoret Chem, Jinan 250100, Peoples R China

[2] Shandong Normal Univ, Dept Phys, Jinan 250014, Peoples R China

来源：

SCIENCE IN CHINA SERIES B-CHEMISTRY | 1998年 / 41卷 / 05期

基金：

中国国家自然科学基金;

关键词：

dynamics of chemical reactions; dynamical Lie algebraic method; quantum reactive scattering;

D O I：

10.1007/BF02882799

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The dynamical Lie algebraic method is used to describe the quantum reactive scattering. For the collinear exchange reaction A + BC --> AB + C, an analytical expression for the reactive transition probability, which involves the main dynamic parameters of the system, is explicitly given. Numerical rest calculations are carried out for the collinear reaction scattering H + H-2 (n = 0) --> H-2 (n' = 0) + H. The results show that the dynamical Lie algebraic method is very efficient for computing reaction probabilities.

引用

页码：460 / 470

页数：11

共 15 条

[1] CONNECTION BETWEEN MAXIMAL ENTROPY AND SCATTERING THEORETIC ANALYSES OF COLLISION PROCESSES [J].

ALHASSID, Y ;

LEVINE, RD .

PHYSICAL REVIEW A, 1978, 18 (01) :89-116

[2] EXACT QUANTUM-MECHANICAL REACTION PROBABILITIES FOR COLLINEAR H+ H2 REACTION ON A PORTER-KARPLUS POTENTIAL-ENERGY SURFACE [J].

DUFF, JW ;

TRUHLAR, DG .

CHEMICAL PHYSICS LETTERS, 1973, 23 (03) :327-330

[3] THE FORMAL THEORY OF SCATTERING [J].

GELLMANN, M ;

GOLDBERGER, ML .

PHYSICAL REVIEW, 1953, 91 (02) :398-408

[4] Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface [J].

Guan, D ;

Yi, YH ;

Ding, SL ;

Yang, BH .

CHEMICAL PHYSICS, 1997, 218 (1-2) :1-11

[5]

Guan D, 1997, INT J QUANTUM CHEM, V63, P981, DOI 10.1002/(SICI)1097-461X(1997)63:5<981::AID-QUA7>3.0.CO

[6]

2-S

[7]

GUAN D, 1997, J MOL SCI, V13, P135

[8]

GUAN D, 1997, INT J QUANTUM CHEM, V69, P168

[9]

Johnson R., 1982, Introduction to Atomic and Molecular Collisions

[10] ACTIVATION ENERGIES FROM BOND ENERGIES .1. HYDROGEN TRANSFER REACTIONS [J].

JOHNSTON, HS ;

PARR, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (17) :2544-&

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