Abstract
The present paper describes, in general terms, the minicomputer implementation of the vector coupling method1 for the evaluation of unitary group generator matrix elements. It will become evident that once proper algorithms have been developed and coded it is a relatively easy task, for instance, to obtain spin orbit type matrix elements. Our approach is essential in calculations involving truncated basis sets.
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References
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© 1981 Springer-Verlag Berlin · Heidelberg
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Schlesinger, M. (1981). Minicomputer Implementation of the Vector Coupling Approach to the Calculation of Unitary Group Generator Matrix Elements. In: Hinze, J. (eds) The Unitary Group for the Evaluation of Electronic Energy Matrix Elements. Lecture Notes in Chemistry, vol 22. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93163-5_7
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DOI: https://doi.org/10.1007/978-3-642-93163-5_7
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-10287-8
Online ISBN: 978-3-642-93163-5
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