The thermal equilibrium aspects of the time dependent Hartree and the locally enhanced sampling approximations: Formal properties, a correction, and computational examples for rare gas clusters
- 15 February 1993
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (4) , 3380-3388
- https://doi.org/10.1063/1.464110
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Locally enhanced sampling in free energy calculations: Application of mean field approximation to accurate calculation of free energy differencesThe Journal of Chemical Physics, 1992
- Modeling side chains in peptides and proteins: Application of the locally enhanced sampling and the simulated annealing methods to find minimum energy conformationsThe Journal of Chemical Physics, 1991
- Energy equipartitioning in the classical time-dependent Hartree approximationThe Journal of Chemical Physics, 1991
- Computational studies of ligand diffusion in globins: I. LeghemoglobinProteins-Structure Function and Bioinformatics, 1991
- Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobinJournal of the American Chemical Society, 1990
- Time-dependent self-consistent field approximation for intramolecular energy transfer. I. Formulation and application to dissociation of van der Waals moleculesThe Journal of Chemical Physics, 1982
- Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones MoleculesPhysical Review B, 1967
- Note on Exchange Phenomena in the Thomas AtomMathematical Proceedings of the Cambridge Philosophical Society, 1930