Geodesic
Regularizing algorithms for constructing intermolecular potentials on the basis of experimental data
Numerical methods and programming, Tome 4 (2003) no. 1, pp. 200-206

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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.
Keywords: intermolecular potential, inverse problems, regularization theory.
Mots-clés : second virial coefficient 
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     author = {N. V. Anikeeva and I. V. Kochikov and G. M. Kuramshina and A. G. Yagola},
     title = {Regularizing algorithms for constructing intermolecular potentials on the basis of experimental data},
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     pages = {200--206},
     publisher = {mathdoc},
     volume = {4},
     number = {1},
     year = {2003},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VMP_2003_4_1_a21/}
}
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N. V. Anikeeva; I. V. Kochikov; G. M. Kuramshina; A. G. Yagola. Regularizing algorithms for constructing intermolecular potentials on the basis of experimental data. Numerical methods and programming, Tome 4 (2003) no. 1, pp. 200-206. http://geodesic.mathdoc.fr/item/VMP_2003_4_1_a21/