Title of article
Speed improvement of diffusion quantum Monte Carlo calculations on weakly bound clusters
Author/Authors
Benoit، نويسنده , , David M and Chavagnac، نويسنده , , Alexis X and Clary، نويسنده , , David C، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
8
From page
269
To page
276
Abstract
A look-up table algorithm is described that enhances the speed of quantum diffusion Monte Carlo calculations on molecular clusters. Application to benzene–H2O, benzene–D2O and phenol–H2O complexes illustrates the advantages of the method.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1772283
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