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Regularized scaling factor method for calculatiпg molecнle force fields

I.V. Kochikov, G.M. Kuramshina, A.V. Stepanova, and A.G. Yagola

Moscow University Physics Bulletin 1997. 52. N 5. P. 28

  • Article
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.

Authors
I.V. Kochikov, G.M. Kuramshina, A.V. Stepanova, and A.G. Yagola
Department of Mathematics
Issue 5, 1997

Moscow University Physics Bulletin

Science News of the Faculty of Physics, Lomonosov Moscow State University

This new information publication, which is intended to convey to the staff, students and graduate students, faculty colleagues and partners of the main achievements of scientists and scientific information on the events in the life of university physicists.