QUANTUM DYNAMIC SIMULATIONS OF NONADIABATIC PROCESSES - SOLVATION DYNAMICS OF THE HYDRATED ELECTRON

被引：119

作者：

NERIA, E ^{[1
]}

NITZAN, A ^{[1
]}

BARNETT, RN ^{[1
]}

LANDMAN, U ^{[1
]}

机构：

[1] GEORGIA INST TECHNOL,SCH PHYS,ATLANTA,GA 30332

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.67.1011

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new method for simulating nonadiabatic quantum processes is presented. It is suitable for transitions which are not dominated by near crossing of potential surfaces. The method is applied to the calculation of the radiationless transition rate of the hydrated electron from its lowest excited level to the ground state. The results are consistent with recent experimental indications that this process dominates the solvation dynamics of the electron in water.

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页码：1011 / 1014

页数：4

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