International Journal of Mathematics and Computational Science
Articles Information
International Journal of Mathematics and Computational Science, Vol.1, No.2, Apr. 2015, Pub. Date: Mar. 31, 2015
New Method of the Approximation of Hartree-Fock Wave Functions
Pages: 55-58 Views: 1115 Downloads: 465
Authors
[01] N. V. Novikov, Skobeltsyn Institute of Nuclear Physics, Moscow State University, Moscow, Russia.
Abstract
A new method of the approximation of the solution to the Hartree-Fock equation for many-electron atoms and ions is proposed. The method is based on the increase in the accuracy of the approximation of wave functions corresponding to different shells. This makes it possible to reach the accuracy that is close to the error of the numerical solution. More than 14000 wave functions of the ground and excited states of atoms and ions with the number of electrons ranging from 2 to 18 are obtained.
Keywords
Hartree-Fock Equation, Wave Function, Excited States of Ions
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