DOI: 10.1002/jcc.540141112. General atomic and molecular electronic structure system

General atomic and molecular electronic structure system

10.1002/jcc.540141112

Crossref journal-article

Wiley

Journal of Computational Chemistry (311)

Abstract

AbstractA description of theab initioquantum chemistry package GAMESS is presented. Chemical systems containing atoms through radon can be treated with wave functions ranging from the simplest closed‐shell case up to a general MCSCF case, permitting calculations at the necessary level of sophistication. Emphasis is given to novel features of the program. The parallelization strategy used in the RHF, ROHF, UHF, and GVB sections of the program is described, and detailed speecup results are given. Parallel calculations can be run on ordinary workstations as well as dedicated parallel machines. © John Wiley & Sons, Inc.

Bibliography

Schmidt, M. W., Baldridge, K. K., Boatz, J. A., Elbert, S. T., Gordon, M. S., Jensen, J. H., Koseki, S., Matsunaga, N., Nguyen, K. A., Su, S., Windus, T. L., Dupuis, M., & Montgomery, J. A. (1993). General atomic and molecular electronic structure system. Journal of Computational Chemistry, 14(11), 1347â1363. Portico.

Authors 13

Michael W. Schmidt (first)
Kim K. Baldridge (additional)
Jerry A. Boatz (additional)
Steven T. Elbert (additional)
Mark S. Gordon (additional)
Jan H. Jensen (additional)
Shiro Koseki (additional)
Nikita Matsunaga (additional)
Kiet A. Nguyen (additional)
Shujun Su (additional)
Theresa L. Windus (additional)
Michel Dupuis (additional)
John A. Montgomery (additional)

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Dates

Type	When
Created	20 years, 7 months ago (Jan. 1, 2005, 7:59 p.m.)
Deposited	1 year, 7 months ago (Jan. 17, 2024, 5:44 p.m.)
Indexed	30 minutes ago (Aug. 21, 2025, 6:08 a.m.)
Issued	31 years, 9 months ago (Nov. 1, 1993)
Published	31 years, 9 months ago (Nov. 1, 1993)
Published Online	20 years, 11 months ago (Sept. 7, 2004)
Published Print	31 years, 9 months ago (Nov. 1, 1993)

Funders 0

None

BibTeX

@article{Schmidt_1993, title={General atomic and molecular electronic structure system}, volume={14}, ISSN={1096-987X}, url={http://dx.doi.org/10.1002/jcc.540141112}, DOI={10.1002/jcc.540141112}, number={11}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Schmidt, Michael W. and Baldridge, Kim K. and Boatz, Jerry A. and Elbert, Steven T. and Gordon, Mark S. and Jensen, Jan H. and Koseki, Shiro and Matsunaga, Nikita and Nguyen, Kiet A. and Su, Shujun and Windus, Theresa L. and Dupuis, Michel and Montgomery, John A.}, year={1993}, month=nov, pages={1347–1363} }

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