Quantum dynamics of complex molecular systems.
This Perspective presents a broad overview of the present status of theoretical capabilities for describing quantum dynamics in molecular systems with many degrees of freedom, e.g., chemical reactions in solution, clusters, solids, or biomolecular environments.
Miller
William H
WH
Department of Chemistry and K. S. Pitzer Center for Theoretical Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720-1460, USA. millerwh@berkeley.edu
D001703:Biophysics / Q000379:methods*; D002621:Chemistry / Q000379:methods; D008956:Models, Chemical; D015233:Models, Statistical; D008962:Models, Theoretical; D008968:Molecular Conformation; D009010:Monte Carlo Method; D055585:Physical Phenomena; D010825:Physics; D011789:Quantum Theory; D012984:Software; D013696:Temperature; D013997:Time Factors