Numerical calculation method for steady -state Schr?dinger equation based on taylor expansion
ZHAO Lian-peng
Abstract：According to Taylor expansion theorem to obtain systematic Single -center single-particle of the variation function of approximation .Basis on this then put forward the same orbit of the two -electron approxima-tion.It is namely:first of all, according to hydrogen variation function to obtain a formula of the same orbit of two-electron center of potential field of approximation , and then according to the orthogonal function of Hyller-aas variation function to calculate the energy of the same orbit of the two electronic system , to obtain the total en-ergy of the system .This method use the two -electron approximation can make a further approximation , and the calculation accuracy is higher than self -consistent potential field approximation method.
Keywords：steady-state Schr?dinger equationtrial functionorbitTaylor expansion
Publication Date：2014-01-01
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：4( 252-255 )