Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior
نویسندگان
چکیده
منابع مشابه
Variational density matrix optimization using semidefinite programming
programming Brecht Verstichel, ∗ Helen van Aggelen, Dimitri Van Neck, Paul W. Ayers, and Patrick Bultinck Center for Molecular Modeling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent, Belgium Department of Chemistry, McMaster University, Hamilton, Ontario, L8S 4M1, Canada Abstract ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2010
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3354911