A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians
نویسندگان
چکیده
منابع مشابه
Heuristic computation of the rovibrational G matrix in optimized molecule-fixed axes. Gmat 2.1
a r t i c l e i n f o a b s t r a c t Gmat 2.1 is a program able to compute the rovibrational G matrix in different molecule-fixed axes extending the capabilities of Gmat 1.0. The present version is able to select optimal molecule-fixed axes minimizing the pure rotational kinetic elements, the rovibrational kinetic elements or both simultaneously. To such an end, it uses a hybrid minimization a...
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ورودعنوان ژورنال:
- Computer Physics Communications
دوره 181 شماره
صفحات -
تاریخ انتشار 2010