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Effective utilization of IBM 3090 large virtual storage in the numerically intensive computations of ab into molecular orbitals

Published: 01 November 1988 Publication History

Abstract

No abstract available.

References

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S. G. Tucker, "The IBM 3090 system: An overview," IBM Systems Journal 25, No. 1, 4-19 (1986).
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D. H. Gibson, D. W. Rain, and H. F. Walsh, "Engineering and scientific processing on the IBM 3090," IBM Systems Journal 25, No. 1, 36-50 (1986).
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J. S. Binkley, M. Frisch, K. Raghavachari, D. DeFrees, H. B. Schlegel, R. Whiteside, E. Fluder, R. Seeger, and J. A. Pople, "GAUSSIAN 82. Release A," Carnegie Mellon University, Pittsburgh (1983).
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W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory, John Wiley & Sons, Inc., New York (1986).
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(a) M. Dupuis, D. Spangler, and J. J. Wendoloski, National Resource for Computations in Chemistry, Software Catalog, Volume 1, program QG01 (1980); (b) HONDO5, M. Dupuis, J. Rys, H. F. King, QCPE 13, 403 (1981); (c) HONDO (Version 7.0), M. Dupuis, J. D. Watts, H. O. Villar, and G. J. B. Hurst, QCPE 8, 79 (1988); HONDO (Version 7.0) was developed by M. Dupuis, currently at IBM in Kingston, NY; (d) for example, see QCPE Catalog, Department of Chemistry, Indiana University, Bloomington, IN 47405.
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A. D. McLean, in Proceedings of the Conference on Potential Energy Surface in Chemistry, University of California, Santa Cruz, CA (August 1970); Technical Publication RA18, IBM Research Division Laboratory, San Jose, CA (1971).
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P. S. Bagus, B. Liu, A. D. McLean, and M. Yoshimine, in Energy, Structure, and Reactivity, D. W. Smith and W. B. McRae, Editors, John Wiley & Sons, Inc., New York (1973), p. 130.
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M. Sakaki, GAUSSIAN-82 3090-VF Modification Design Manual, Data Systems Support Center, IBM Japan, Ltd., Tokyo (1986).

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cover image IBM Systems Journal
IBM Systems Journal  Volume 27, Issue 4
November 1988
177 pages

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IBM Corp.

United States

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Published: 01 November 1988

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