An Application of the Monte Carlo Method to the Evaluation of Some Molecular Integrals

D. R. Cowdrey, C. M. Reeves
1963 Computer journal  
The Monte Carlo method is reviewed and applied to the evaluation of a class of molecular integrals for which no closed method is available. Three algorithms are developed in attempts to reduce the sample variances. Extensions on more powerful computing machinery could provide viable means of evaluation of the large numbers of integrals that arise in quantum-mechanical studies of molecular structure. = \ 277 Downloaded from by guest
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doi:10.1093/comjnl/6.3.277 fatcat:sio327m7tnbspgydsnx2o4ftj4