Annotation
А regularizing algorithm has been implemented for calculating the force fields of polyatomic molecules. The algorithm is based on Pulay's method of scaling factors.
© 2016 Publisher M.V.Lomonosov Moscow State University
Authors
I.V. Kochikov, G.M. Kuramshina, A.V. Stepanova, and A.G. Yagola
Department of Mathematics
Department of Mathematics