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Additional recommended knowledge
GAMESS (UK) can perform a number of general computational chemistry calculations, including Hartree-Fock, Møller-Plesset perturbation theory (MP2 & MP3), Coupled cluster (CCSD & CCSD(T)), Density functional theory (DFT), configuration interaction (CI), and other advanced electronic structure methods. Calculation of Valence Bond wave functions are possible by the TURTLE code, due to J.H. van Lenthe.
M. F. Guest, I. J. Bush, H. J. J. van Dam, P. Sherwood, J. M. H. Thomas, J. H. van Lenthe, R. W. A. Havenith and J. Kendrick. "The GAMESS-UK structure package: algorithms, developments and applications", Molecular Physics, 103, 719 - 747, 2005.
|This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "GAMESS_(UK)". A list of authors is available in Wikipedia.|