Title of article
Talus — A quantum Monte Carlo modelling suite Original Research Article
Author/Authors
M.L. Stedman، نويسنده , , W.M.C. Foulkes، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 1998
Pages
19
From page
180
To page
198
Abstract
We present the Talus Quantum Monte Carlo modelling suite of programs. The suite provides an extensible environment for the study of a diverse range of physical systems with several QMC algorithms. The overriding concern behind the design of the suite has been to enable new algorithms and, in particular, new systems to be studied with minimal implementation and testing overhead. To this end, we have designed the Monte Carlo and measurement functions to be independent of the actual wavefunction. We describe the main algorithms used, discus the unusual features of the suiteʹs implementation, and provide results for a simple test calculation.
Keywords
Quantum Monte Carlo , Monte Carlo , Variational Monte Carlo , Variance minimisation , Atoms , Diffusion Monte Carlo
Journal title
Computer Physics Communications
Serial Year
1998
Journal title
Computer Physics Communications
Record number
1134965
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