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   -> Volume 5, Issue 8


Preprint: Wavelets and Quantum Chemistry
 
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Fischer Patrick (fischer@math.u-bordeaux.fr)
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PostPosted: Thu Jan 01, 1970 12:59 am    
Subject: Preprint: Wavelets and Quantum Chemistry
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#3 Preprint: Wavelets and Quantum Chemistry

Dear readers,

the following preprint accepted by SIAM J. Num. An. is available:

P. FISCHER, M. DEFRANCESCHI

" Numerical Solution of the Schrodinger Equation in a Wavelet Basis
for Hydrogenlike Atoms "

Abstract:

An iterative method is proposed to solve the Schrodinger eigenvalue
problem in a wavelet framework. Orthonormal wavelets are used to
represent the corresponding operator as a sparse band matrix. This
representation, called the Non Standard form, is obtained by means of
the B.C.R. algorithm and brings simplifications in the numerical
calculations. Problems due to the 1D mathematical model and to the
discretization process receive a special attention.

Please contact P. Fischer for any request:

fischer@math.u-bordeaux.fr
MAB
Universite de Bordeaux I
351, Cours de la liberation
33405 Talence
FRANCE
All times are GMT + 1 Hour
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