Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. II. Application to nonpolar solvation.
Hughes KH, Baxter SN, Bousquet D, Ramanathan P, Burghardt I.
Hughes KH, et al. Among authors: burghardt i.
J Chem Phys. 2012 Jan 7;136(1):014102. doi: 10.1063/1.3671378.
J Chem Phys. 2012.
PMID: 22239764
The mixed quantum-classical formulation derived in our companion paper [D. Bousquet, K. H. Hughes, D. Micha, and I. Burghardt, J. Chem. Phys. 134, 064116 (2011)], which is based upon a hydrodynamic representation of the classical sector, is applied to nonequilibrium …
The mixed quantum-classical formulation derived in our companion paper [D. Bousquet, K. H. Hughes, D. Micha, and I. Burghardt, …