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Generalized Sturmian Solutions for Many-Particle Schrödinger Equations

2004; American Chemical Society; Volume: 108; Issue: 41 Linguagem: Inglês

10.1021/jp040225m

1520-5215

John Avery, James Avery,

Advanced Physical and Chemical Molecular Interactions

The generalized Sturmian method for obtaining solutions to the many-particle Schrödinger equation is reviewed. The method makes use of basis functions that are solutions of an approximate Schrödinger equation with a weighted zeroth-order potential. The weighting factors are especially chosen so that all the basis functions are isoenergetic with the state they are used to represent. This means that all the basis functions have turning points located in such a position that they can contribute usefully to the synthesis of the wave function. The method is illustrated by a simple examplethe calculation of atomic spectra.