Circumventing the pathological behaviour of path-integral Monte Carlo for systems with Coulomb

Muser, M.H.; Berne, B.J.
July 1997
Journal of Chemical Physics;7/8/1997, Vol. 107 Issue 2, p571
Academic Journal
Analyzes the pathological behavior of the imaginary-time discretized path integral for systems interacting through Coulomb potentials and/or bounded by hard walls. Construction of an effective potential that depends on Trotter number; Treatment of Coulombic potentials by means of Monte Carlo at low Trotter numbers.


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