Abstract
AbstractA new iterative scheme for a simultaneous calculation of the m lowest eigenvalues together with their eigenvectors has been derived for a real symmetric matrix. The scheme is based on the orthogonal gradient method and is easy to use for large‐scale configuration‐interaction calculations of electronic wave functions. A variant of the scheme deals with nonorthogonal basis functions, which are particularly simple in the case of the bonded‐function method of Boys.
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