| Title | Evaluation of Nonlinear Quantum Time Correlation Functions within the Centroid Dynamics Formulation |
| Publication Type | Journal Article |
| Year of Publication | 2006 |
| Authors | Krishna, V, Voth, GA |
| Journal | J Phys Chem B |
| Volume | 110 |
| Pagination | 18953-7 |
| Keywords | Models, Molecular Models, Theoretical *Quantum Theory |
| 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. |
| DOI | 10.1021/jp060073q |