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Version du 3 août 2012 à 08:55
Four tutorials ("hands-on" labs) sessions are planned, where participants will learn to use the XMVB program, as well as the BLW and HuLis programs, and apply the methods and concepts on some chemical problems of progressive difficulty. Part of the «hands-on» sessions can as well be used by participants for questions/answers concerning the main lectures or book exercises. Rooms will also be at the disposal of participants during the «hands-on» time for free discussions.
The XMVB program
XMVB is an ab initio non-orthogonal Valence Bond program. It is available upon request. Its manual could be downloaded here, and a detailed presentation of input/output structure here.