Abstract
Information-guided noise reduction (IGNoR) [Chem. Phys. Lett. 2004, 400, 446], a procedure for reducing the statistical error in Monte Carlo integration of oscillatory functions, is generalized to cases where both the prototype function and remaining integrand are complex-valued. The method is applied to the forward-backward semiclassical dynamics approximation of time correlation functions. Illustrative calculations of velocity autocorrelation functions in supercritical argon and liquid neon are presented.
Original language | English (US) |
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Pages (from-to) | 4-9 |
Number of pages | 6 |
Journal | Journal of Chemical Theory and Computation |
Volume | 7 |
Issue number | 1 |
DOIs | |
State | Published - Jan 11 2011 |
ASJC Scopus subject areas
- Computer Science Applications
- Physical and Theoretical Chemistry