Nonlinear global inversion of potential energy surfaces from the experimentally determined second virial coefficients

Chemical Physics Letters

Volumn 378, Issue 3-4, 2003, Pages 406-409

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

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; ENERGY; MATHEMATICAL ANALYSIS; SURFACE PROPERTY; TECHNIQUE; THEORETICAL MODEL;

EID: 0141451757     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.07.006     Document Type: Article

References (14)

1. Hadamard J. Le problème de Cauchy et les équations aux dérivées partielles linéaires hyperboliques. 1932;Herman, Paris.
2. Keller J.B., Zumino B. J. Chem. Phys. 30:1959;1351.
3. Jonah D.A., Rowlinson J.S. Trans. Faraday Soc. 62:1966;1067.
4. Maitland G.C., Smith E.B. Mol. Phys. 24:1972;1185.
5. Lemes N.H.T., Braga J.P., Belchior J.C. Chem. Phys. Lett. 296:1998;233.
6. Golub G.H., Van Loan C.F. Matrix Computations. 1989;John Hopkins University Press, Baltimore.
7. Tikhonov A.N., Arsénine V. Méthodes de Résolution de Problèmes Mal Posés. 1974;Mir, Moscow.
8. Braga J.P., de Almeida M.B., Braga A.P., Belchior J.C. Chem. Phys. 260:2000;347.
9. Hopfield J.J. Proc. Natl. Acad. Sci. USA. 79:1982;2554.
10. Braga J.P., Neves J.L. Phys. Chem. Chem. Phys. 3:2001;4355.
11. Neves J.L., Braga J.P., Braga A.P., de Almeida M.B. Inverse Probl. Eng. 10:2002;153.
12. Press W.H., Flannery B.P., Teukolsky S.A., Vetterling W.T. Numerical Recipes in Fortran. 1992;Cambridge University Press, Cambridge.
13. Dymond J.H., Smith E.B. The Virial Coefficients of Pure Gases and Mixtures, A Critical Compilation. 1980;Claredon Press, Oxford.
14. Aziz R.A. J. Chem. Phys. 99:1993;4518.