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The effect of the density of states on the Metropolis algorithm

โœ Scribed by Galen Sasaki


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
572 KB
Volume
37
Category
Article
ISSN
0020-0190

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## An algorithm based on a "constrained variational principle" is suggested for the direct determinatton of constramed one-electron density matrices in a self-consistent manner. The algorithm uses both penalty-function and Lagrangian multiplier methods of mcorporating equality constraints and can