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A vectorized molecule codeThe vectorization of the computational chemistry code, MOLECULE, is discussed. Computational simplifications of molecular integrals, memory management, and contraction schemes are addressed and a brief guide for users is included.
Document ID
19860020457
Acquisition Source
Legacy CDMS
Document Type
Conference Paper
Authors
Almloef, J. (Oslo Univ.)
Date Acquired
August 12, 2013
Publication Date
August 31, 1984
Publication Information
Publication: Polyatomics Research, Inc.,Mountain View, Calif. On the Extension of the MCSCF(CI Method
Subject Category
Inorganic And Physical Chemistry
Accession Number
86N29929
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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