The GAMESS-UK electronic structure package: algorithms, developments and applications

Molecular Physics - Tập 103 Số 6-8 - Trang 719-747 - 2005
Martyn F. Guest1, Ian J. Bush1, Hubertus J. J. van Dam1, Paul Sherwood1, Jens M. H. Thomas1, Joop H. van Lenthe2, Remco W. A. Havenith2, John Kendrick3
1Computational Science and Engineering Department , CLRC Daresbury Laboratory , Daresbury, Warrington, Cheshire WA4 4AD, UK
2Theoretical Chemistry Group , Debye Institute, Utrecht University , Utrecht, The Netherlands
3QMolecular Ltd , 13 Castle Close, Middleton St George, Darlington DL2 1DE, UK

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