Potential energy function from second virial data using sensitivity analysis

Inverse Problems in Science and Engineering

Volumn 14, Issue 6, 2006, Pages 581-587

  Lemes, N H T ^a   Sebastiao R C O ^a   Braga, J P ^a  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

Inverse problem; Second virial data; Sensitivity analysis

Indexed keywords

EID: 33745595035     PISSN: 17415977     EISSN: 17415985     Source Type: Journal    
DOI: 10.1080/17415970600573353     Document Type: Conference Paper

References (13)

1. Tikhonov, A.N. and Goncharsky, A.V., 1987, Ill-Posed Problem in the Natural Sciences (Moscow: Mir Publisher).
2. Hadamard, J., 1923, Lectures on Cauchy's Problems in Linear Partial Differential Equations (New Haven: Yale University Press).
3. Golub, G.H. and Van Loan, C.F., 1996, Matrix Computations (Baltimore: Johns Hopkins Univ Press).
4. Braga, J.P., de Almeida, M.B., Braga, A.P. and Belchior, J.C., 2000, Hopfield neural network model for calculating the potential energy function from second virial data. Chemical Physics, 260, 347-352.
5. de Almeida, M.B. Braga, A.P., Braga, J.P., Belchior, J.C. and Yared, G.F.G, 2000, Radial basis function network for obtaining long range dispersion coefficients from second virial data. Physical Chemistry Chemical Physics, 2, 103-107.
6. Lemes, N.H.T., Braga, J.P. and Belchior, J.C., 1998, Spherical potential energy function from second virial coefficient using Tikhonov regularisation and truncated singular value decomposition. Chemical Physics Letters, 296, 233-238.
7. Braga, J.P. and Neves, J.L., 2001, Long-range spherical potential energy function from the second virial coefficient using decomposition into subspaces. Physical Chemistry Chemical Physics, 3, 4355-4358.
8. Sebastião, R.C.O., Lemes, N.H.T., Virtuoso, L.S. and Braga, J.P., 2003, Nonlinear global inversion of potential energy surfaces from the experimentally determined second virial coefficients. Chemical Physics Letters, 378, 406-409.
9. Anikeeva, N.V., Kochikov, I.V., Kuramshina, G.M. and Yagola, A.G., 2003, Numerical Methods and Programming, 4, 200.
10. Hirschfelder, J.O., Curtis, C.F. and Bird, R.B., 1954, Molecular Theory of Gases and Liquids (New York: John Wiley).
11. Dymond, J.H. and Smith, E.B., 1980, The Virial Coefficients of Pure Gases and Mixtures: A Critical Compilation (Oxford: Claredon Press).
12. Aziz, R.A., 1993, A highly accurate interatomic potential for argon. Journal of Chemical Physics, 99, 4518-4525.
13. Hansen, P.C., 1998, Rank-Deficient and Discrete. Ill-Posed Problems (Philadelphia: Society for Industrial and Applied Mathematics).