position operator / bond dissociation energy / reaction energy / high energy asymptotic value / free energy calculations / internuclear potential energy function / chemical reactions / e-( / e -β / realistic chemical applications / zero-point energy / free energy / multidimensional systems / quantum ground-state energy / centroid potential energy minimizations / calculated ground-state energy / energy lowering / harmonic zero-point energy / potential energy / e-β / potential energy function / ground-state energy / higher energy / maximum energy / lower energy region / computed ground-state energy / kinetic energy terms / quantum energy / molecular systems / electronic groundstate energy / energy / /
Organization
Kleinert’s Variational Perturbation Theory Kin-Yiu Wong* and Jiali Gao Department of Chemistry / UniVersity of Minnesota / Minneapolis / /
J. Chem. Theory Comput. 2008, 4, 1409–[removed]Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based