SEMI-CLASSICAL MODEL FOR ACCIDENTAL PREDISSOCIATION IN DIATOMIC-MOLECULES

被引:8
作者
ATABEK, O [1 ]
LEFEBVRE, R [1 ]
REQUENA, A [1 ]
机构
[1] UNIV MURCIA,DEPT QUIM FIS,MURCIA,SPAIN
关键词
Quantum theory - Molecules;
D O I
10.1016/0022-2852(80)90121-6
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
After a short review of possible quantum treatments, the uniform semiclassical theory of Child (J. Mol. Spectrosc. 53, 280 (1974)) is applied to the problem of accidental predissociation in a diatomic molecule where a bound state dissociates into a continuum via a coupling with a near-degenerate second bound state. A complete connection diagram and an analytical expression for the lineshape is provided. This expression is used in the diabatic limit to derive the widths and shifts of the resonances. Checks are made for two test cases for which a simplified quantum model leads to analytical formulas. The familiar case in which each resonance shares the initial width of the perturbing state according to its weight in the configuration interaction wavefunction is verified. In the opposite coupling scheme, the resonance narrowing phenomenon predicted by the quantum model is also obtained. Copyright © 1980 by Academic Press, inc.
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页码:364 / 378
页数:15
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