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Advanced theories and computational approaches to the electronic structure of molecules

Author: Clifford E Dykstra; North Atlantic Treaty Organization. Scientific Affairs Division.
Publisher: Dordrecht, Holland ; Boston : D. Reidel Pub. Co. ; Hingham, MA : Sold and distributed in the U.S.A. and Canada by Kluwer Academic Publishers, ©1984.
Series: NATO ASI series., Series C,, Mathematical and physical sciences ;, no. 133.
Edition/Format:   Print book : Conference publication : EnglishView all editions and formats
Summary:

Proceedings of the NATO Advanced Research Workshop on Vectorization of Advanced Methods for Molecular Electronic Structure, Colorado Springs, Colorado, U.S.A., September 25-29, 1983

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Genre/Form: Conference papers and proceedings
Congresses
Material Type: Conference publication, Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Clifford E Dykstra; North Atlantic Treaty Organization. Scientific Affairs Division.
ISBN: 9027718105 9789027718105
OCLC Number: 10996823
Notes: "Proceedings of the NATO Advanced Research Workshop on Vectorization of Advanced Methods for Molecular Electronic Structure, Colorado Springs, Colorado, U.S.A., September 25-29, 1983"--Title page verso.
"Published in cooperation with NATO Scientific Affairs Division."
Description: viii, 236 pages : illustrations ; 25 cm.
Contents: Chemical Computations on an Attached Processor: Quantum Chemistry Applications.- Considerations in Vectorizing the CI Procedure.- The Method of Self Consistent Electron Pairs. A Matrix Oriented Direct CI.- Evaluation and Processing of Integrals.- Multiconfiguration Wavefunctions for Molecules: Current Approaches.- Internally Contracted Mcscf-Scep Calculations.- Computational Aspects of Direct SCF and Mcscf Methods.- Coupled-Cluster Methods for Molecular Calculations.- State-Specific Theory of Electron Correlation in Excited States.- The Treatment of Electron Correlation: Where do We go from There?.- Computer Technology in Quantum Chemistry.- Problem Limitations and Cost Effectiveness Considerations in Computational Quantum Chemistry.- Algorithmic Considerations in Large Mainframe Computers.- Participants.
Series Title: NATO ASI series., Series C,, Mathematical and physical sciences ;, no. 133.
Responsibility: edited by Clifford E. Dykstra.

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