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Optimization Algorithms in Physics || Monte Carlo Methods

โœ Scribed by Hartmann, Alexander H.; Rieger, Heiko


Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Year
2001
Weight
1003 KB
Category
Article
ISBN-13
9783527600878

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Optimizing efficiency of perturbative Mo
โœ Evans, Tom J.; Truong, Thanh N. ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 289 KB ๐Ÿ‘ 1 views

We introduce error weighting functions into the perturbative Monte Carlo method for use with a hybrid ab initio quantum ลฝ . mechanicsrmolecular mechanics QMrMM potential. The perturbative Monte Carlo approach introduced earlier provides a means to reduce the number of full SCF calculations in simula