Journal ArticleDOI
Successive Approximations by the Rayleigh-Ritz Variation Method
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In this article, the Rayleigh-Ritz variation method for handling linear differential equations is examined and relations between the discrete eigenvalues obtained in successive approximations are established between them.Abstract:
Approximate eigenvalues given by the Rayleigh-Ritz variation method for handling linear differential equations are examined and relations are established between the discrete eigenvalues obtained in successive approximations. These relations should be of use in practical computations. A method for fixing upper bounds to eigenvalues is given and a procedure previously employed by the writer to simplify determinant calculations is adapted for use in the present theory.read more
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Book
Electronic Structure: Basic Theory and Practical Methods
TL;DR: In this paper, the Kohn-Sham ansatz is used to solve the problem of determining the electronic structure of atoms, and the three basic methods for determining electronic structure are presented.
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Recent Developments in Perturbation Theory
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The Ground State of the Hydrogen Molecule
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Internally contracted multiconfiguration-reference configuration interaction calculations for excited states
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Journal ArticleDOI
A quadratically convergent MCSCF method for the simultaneous optimization of several states
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