Quantum Chemistry by Random Walk: Method of Successive Corrections
Abstract
The randomwalk method of solving the Schrödinger equation is reformulated to allow the direct calculation of the difference δ between a true wavefunction ψ and a trial wavefunction ψ_{0}. For a trial wavefunction from any source the difference δ may be calculated and used to correct the trial wavefunction. Successive calculations offer the possibility of further corrections and wavefunctions of unlimited accuracy. The calculation of δ is illustrated for the cases of the particleinabox and the hydrogen atom. Energies are determined directly from the randomwalk calculations and indirectly from computation of the expectation values for the corrected wavefunctions.
 Publication:

Journal of Computational Physics
 Pub Date:
 June 1979
 DOI:
 10.1016/00219991(79)90055X
 Bibcode:
 1979JCoPh..31..425A