Implementation of a parallel direct SCF algorithm on distributed memory computers-Reference-Cited by-同舟云学术

Implementation of a parallel direct SCF algorithm on distributed memory computers

Published:1995-01 Issue:1 Volume:16 Page:91-104
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Furlani Thomas R.,King Harry F.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference39 articles.

1. Principles for a directSCFapproach toLICAO-MOab-initiocalculations

2. Anab initio distributed multipole study of the electrostatic potential around an undecapeptide cyclosporin derivative and a comparison with point charge electrostatic models

3. Ab initio theoretical predictions of the equilibrium geometries of C60, C60H60 and C60F60

4. Electronic structures of the icosahedral C60H60 and C60F60 molecules

5. The MSRC Ab Initio Methods Benchmark Suite: A Measurement of Hardware and Software Performance in the Area of Electronic Structure Methods, Pacific Northwest Laboratory report PNL-8670, July 1993. Available upon request from Natl. Tech. Info. Service, U.S. Department of Commerce, 5285 Port Royal Rd., Springfield, VA 22161.

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