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Communication: spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: analytic

Dipayan Datta1, Jürgen Gauss1

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

The Journal of Chemical Physics
|July 10, 2015
PubMed

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