Density functional method based on wavelets for quantum classical systems

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 539-547

  Chuev, G N ^a   Fedorov, M V ^a,b  

^a INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS   (Russian Federation)

^b UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

Density functional theory; Hydration; Solvated bipolaren; Wavelets

Indexed keywords

APPROXIMATION THEORY; HYDRATES; INTEGRAL EQUATIONS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; SOLVENTS;

FREE ENERGY FUNCTIONS; INTEGRAL EQUATIONS THEORY (IET); WAVELET THEORY;

QUANTUM THEORY;

EID: 7544235868     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20128     Document Type: Conference Paper

References (33)

1. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
2. Dreizier, R. M; Gross, E. K. V. Density Functional Theory; Springer: Berlin, 1990.
3. Kohn, W.; Becke, A. D.; Parr, R. G. J Phys Chem 1996, 100, 12974.
4. Labanowski, J. K.; Andzelm, J. W. Density Functional Methods in Chemistry; Springer-Verlag: New York, 1991.
5. Salahub, R.; Russo, N. Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces; Kluwer: Dordrecht, 1992.
6. Evans, R. Adv Phys 1979, 28, 143.
7. Chandler, D.; McCoy, J. D.; Singer, S. J. J Chem Phys 1986, 85, 5971.
8. Donley, J. P.; Curro, J. G.; McCoy, J. D. J Chem Phys 1994, 101, 3205.
9. Yethiraj, A.; Fynewever, H.; Shew, C.-Y. J Chem Phys 2001, 114, 4323.
10. Sumi, T.; Imai, T.; Hirata, F. J Chem Phys 2001, 115, 6653.
11. Sun, S. X. Phys Rev E 2001, 64, 021512.
12. Chuev, G. N.; Russo, N. Chem Phys Lett 2003, 368, 53.
13. Chuev, G. N.; Fedorov, M. V.; Russo, N. Phys Rev B 2003, 67, 125103.
14. Mallat, S. G. A Wavelet Tour of Signal Processing; Academic: San Diego, 1999.
15. Meyer, Y. Wavelets: Algorithms and Applications; SIAM: Philadelphia, 1993.
16. Daubechies, I. Ten Lectures on Wavelets; SIAM: Philadelphia, 1992.
17. Arias, T. A. Rev Mod Phys 1999, 71, 267.
18. Hohenberg, P.; Kohn, W. Phys Rev 1964, 136, B864.
19. Percus, J. K. In Recent Developments and Applications of Modern Density Functional Theory; Seminario, J. M., Ed.; Elsevier: Amsterdam, 1996; p 90.
20. Hansen, J. P.; McDonald, I. R. Theory of Simple Liquids; Academic: London, 1976.
21. Beylkyn, G.; Coifman, R.; Rokhlin, V. Comm Pure Appl Math 1991, 44, 141.
22. Dahmen, W.; Micchelli, C. A. J Numer Anal 1993, 30, 507.
23. Beylkin, G. J Numer Anal 1992, 29, 1716.
24. Chuev, G. N.; Fedorov, M. V. Phys Rev E 2003, 68, 027702.
25. Sweldens, W. Appl Comput Harm Anal 1996, 3, 86.
26. Donoho, D. L. Appl Comput Harm Anal 1993, 1, 100.
27. Ogden, R. T. Essential Wavelets for Statistical Applications and Data Analysis; Birkhauser: Boston, 1997.
28. Fois, E.; Selloni, A.; Parrinello, M. Phys Rev B 1989, 39, 4812.
29. Kaukonen, H. P.; Barnett, R. N.; Landman, U. J Chem Phys 1992, 97, 1365.
30. Martyna, G.; Deng, Z.; Klein, M. L. J Chem Phys 1993, 98, 555.
31. Botti, A.; Bruni, F.; Isopo, A.; Ricci, M. A.; Soper, A. K. J Chem Phys 2002, 117, 6196.
32. Blum, L.; Torruella, A. J. J Chem Phys 1972, 56, 303.
33. Perdew, J. P.; Zunger, A. Phys Rev B 1981, 23, 5048.