首页 | 本学科首页   官方微博 | 高级检索  
     


Quantum simulation of vibration states and Franck-Condon overlap in non-separable potentials
Authors:W. Lorenz  O. Heitzsch
Affiliation:(1) Sektion Chemie, Karl-Marx-Universität Leipzig, DDR-7010 Leipzig, German Democratic Republic
Abstract:
Summary Taking into consideration nuclear motion in non-separable potentials, we have probed the solution of the Schrödinger equation by random walk sampling in imaginary time on a two-dimensional example. Evaluation of the many-dimensional Franck-Condon overlap and the chemical species conversion rate is outlined.
Keywords:Quantum simulation  Non-separable vibrations  Franck-Condon overlap
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号