Different time slices for different degrees of freedom in Feynman path integration
Title:
Different time slices for different degrees of freedom in Feynman path integration
Author:
Li, Yimin Miller, William H.
Appeared in:
Molecular physics
Paging:
Volume 103 (2005) nr. 2-3 pages 203-208
Year:
2005-01-20
Contents:
A general scheme is presented for using different numbers of 'time slices' for different degrees of freedom in a path integral evaluation of the Boltzmann operator for a large molecular system. This will be particularly useful, for example, in evaluating the 'quantum instanton' rate constant [cf. W.H. Miller, Y. Zhao, M. Ceotto, S. Yang. J. Chem. Phys., 119, 1329 (2003)] for H atom transfer reactions, or any applications involving atoms with largely differing masses.
Journal description