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.
ASJC Scopus subject areas
- Computer Science Applications
- Physical and Theoretical Chemistry