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: http://num-meth.srcc.msu.ru/english/zhurnal/tom_2003/v4r122.html
Дата изменения: Tue Feb 13 15:57:49 2007 Дата индексирования: Mon Oct 1 22:36:51 2012 Кодировка: |
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"Regularizing algorithms for constructing intermolecular potentials on the
basis of experimental data" N.V. Anikeeva, I.V. Kochikov, G.M. Kuramshina, and A.G. Yagola |
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An algorithm for constructing intermolecular potentials on the basis of experimental data on temperature dependence of the second virial coefficient is proposed. The problem of constructing the intermolecular potential is solved on the class of convex-concave functions. It is shown that our approach allows one to restore potentials of intermolecular interaction accurately enough.
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N.V. Anikeeva and A.G. Yagola
e-mail: anikeevan@mail.ru;
yagola@inverse.phys.msu.ru;
ill-posed@mail.ru
I.V. Kochikov e-mail: igor@kochikov.mtu-net.ru G.M. Kuramshina e-mail: kuramshi@phys.chem.msu.ru |