Stochastic Method for Calculating Wave Functions

Abstract
A relationship between the Boltzmann transport equation for a point in 3n-dimensional configuration space executing random motion and the Schrödinger wave equation for n electrons is investigated. It is shown that wave functions and related quantities for the ground and excited states of atomic systems may be calculated with a stochastic computer program by incorporating the Pauli exclusion principle into the stochastic formalism. Stochastic calculations are presented for the ground state of hydrogen and for the S1 and S3 states of helium.

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