@article {522, title = {Evaluation of Nonlinear Quantum Time Correlation Functions within the Centroid Dynamics Formulation}, journal = {J Phys Chem B}, volume = {110}, number = {38}, year = {2006}, note = {Krishna, Vinod Voth, Gregory A Research Support, U.S. Gov{\textquoteright}t, Non-P.H.S. United States The journal of physical chemistry. B J Phys Chem B. 2006 Sep 28;110(38):18953-7.}, pages = {18953-7}, abstract = {

A method to evaluate nonlinear centroid correlation functions is presented that is amenable to simple numerical computation. It can be implemented with the centroid molecular dynamics method for approximate quantum dynamics with no additional assumptions. Two nonlinear correlation functions are evaluated for a model potential using this scheme and compared with results from exact quantum calculations.

}, keywords = {Models, Molecular Models, Theoretical *Quantum Theory}, doi = {10.1021/jp060073q}, author = {Krishna, V. and G. A. Voth} }