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Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: evaluation of first-order electrical

Dipayan Datta1, Jürgen Gauss1

  • 1Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany.

The Journal of Chemical Physics
|September 15, 2014
PubMed

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