منابع مشابه
Orbital Minimization with Localization
Orbital minimization is among the most promising linear scaling algorithms for electronic structure calculation. However, to achieve linear scaling, one has to truncate the support of the orbitals and this introduces many problems, the most important of which is the occurrence of numerous local minima. In this paper, we introduce a simple modification of the orbital minimization method, by addi...
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ژورنال
عنوان ژورنال: Discrete and Continuous Dynamical Systems
سال: 2008
ISSN: 1078-0947
DOI: 10.3934/dcds.2009.23.249