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

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

No === A description of the ab initio quantum chemistry package GAMESS-UK is presented. The package offers a wide range of quantum mechanical wavefunctions, capable of treating systems ranging from closed-shell molecules through to the species involved in complex reaction mechanisms. The availabilit...

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Bibliographic Details
Main Authors: Guest, M.F., Bush, I.J., Van Dam, H.J.J., Sherwood, P., Thomas, J.M.H., Van Lenthe, J.H., Havenith, R.W.A., Kendrick, John
Language:en
Published: 2009
Subjects:
GAMESS=UK
Algorithms
Package
Program
Applications
Quantum
Online Access:http://hdl.handle.net/10454/3457

Internet

http://hdl.handle.net/10454/3457

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