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Linear scaling conjugate gradient density matrix search: Implementation, validation, and application with semiempirical molecular orbital methods

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons58678

Kevorkiants,  R.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Kevorkiants, R. (2003). Linear scaling conjugate gradient density matrix search: Implementation, validation, and application with semiempirical molecular orbital methods. PhD Thesis, Heinrich-Heine-Universität, Düsseldorf.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-9875-C
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