Parallel Fock Matrix Construction Algorithm for Molecular Orbital Calculation Specific Computer
نویسندگان
چکیده
منابع مشابه
Mpqc: Massive Parallel Quantum Chemistry 1.2 Fock-matrix Construction
I am a first year CS graduate student researching high performance algorithms, applications, and architectures. I am currently mainly working with Prof James Demmel on parallel numerical linear algebra algorithms. In the past, I have worked at the Parallel Programming Labrotary at University of Illinois, where I was advised by Prof Laxmikant Kale and worked on the development of Charm++, Charm+...
متن کاملNonempirical Molecular Orbital Theory from Molecular Hartree-fock Theory.
I Frederic, J., and M. Chevremont, Arch. Biol. (Liege), 63, 109 (1952); Tobioka, M., and J. J, Biesele, J. Biophys. Biochem. Cytol., Suppl. 2, 319 (1956). 2 Cleland, K. W., Nature, 170, 497 (1952). 3 Harman, J. W., and M. Feigelson, Exptl. Cell Res., 3, 47, 509 (1952). 4Raaflaub, J., Helv. Physiol. Pharmacol. Acta, 11, 142, 157 (1953). 6 MacFarlane, M. G., and A. G. Spencer, Biochem. J., 54, 56...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2005
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.4.179