Ab initio centroid molecular dynamics: a fully quantum method for condensed-phase dynamics simulations

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Unified Approach for Molecular Dynamics and Density-Functional Theory

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Engineering, Experimental Thermodynamics, Computational Chemistry +22

On the Simulation of Quantum Systems: Path Integral Methods

B. J. Berne, D. Thirumalai · Annual Review of Physical Chemistry · 1986 · 718 citations

Quantum Dynamic, Quantum Science, Engineering +4

The formulation of quantum statistical mechanics based on the Feynman path centroid density. II. Dynamical properties

Jianshu Cao, Gregory A. Voth · The Journal of Chemical Physics · 1994 · 598 citations

Quantum Dynamic, Engineering, Many-body Quantum Physic +18