SEMICLASSICAL CORRECTION FOR QUANTUM-MECHANICAL SCATTERING

被引:87
作者
KESHAVAMURTHY, S [1 ]
MILLER, WH [1 ]
机构
[1] UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
关键词
D O I
10.1016/0009-2614(93)E1485-Y
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 straightforward theoretical prescription is described for combining any approximate quantum scattering calculation with a semi-classical correction. The correction involves the standard semi-classical approximation to the time evolution operator, so that only real time trajectories are needed; by transforming to an initial value representation the calculations require only an average over the phase space of initial conditions. To the extent that the semi-classical approximation is accurate, the net result for the S matrix is exact. Application to one-dimensional barrier transmission shows the semi-classical approximation to do a very good job, for energies above, near to, or far below the barrier.
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页码:189 / 194
页数:6
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