摘要: An outline of a random walk computational method for solving the Schrodinger equation many interacting particles is given, together with survey results achieved so far and applications that remain to be explored. Monte Carlo simulations can used calculate accurately bulk properties light elements hydrogen, helium, lithium as well isolated atoms molecules made up from these elements. It now possible make reliable predictions behavior substances under experimentally difficult conditions, such high pressure, are measure experimentally, momentum distribution in superfluid helium. For chemical systems, stochastic has number advantages over widely variational approach determine ground-state properties, namely fast convergence exact result within objectively established error bounds.
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