The Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. IV. Algorithms for Centroid Molecular Dynamics

TitleThe Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. IV. Algorithms for Centroid Molecular Dynamics
Publication TypeJournal Article
Year of Publication1994
AuthorsCao, J, Voth, GA
JournalThe Journal of Chemical Physics
Volume101
Pagination6168-6183
KeywordsQUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL NUMERICAL SOLUTION ALGORITHMS MOLECULAR DYNAMICS CALCULATIONS CORRELATION FUNCTIONS MANYBODY PROBLEM NORMALMODE ANALYSIS MONTE CARLO METHOD
DOI10.1063/1.468399