Wavelet treatment of radial distribution functions of solutes.
Discrete wavelets are applied to parametrize the radial distribution functions of hydrated ions and hydrophobic solutes. The data on radial distribution functions are derived from the integral equation theory and neutron scattering experiment. The Coifman and the discrete Meyer basis sets are used for the wavelet approximation. The quality of the approximation is verified by calculations of the solvation energy, the coordination number, and the change in chemical potential of solutes.
Chuev
G N
GN
Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Puschino, Moscow Region 142290, Russia.
Fedorov
M V
MV