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Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives

Timothy J Dudley1, Ryan M Olson, Michael W Schmidt

  • 1Villanova University, 800 Lancaster Avenue, Villanova, PA 19885-1699, USA. timothy.dudley@villanova.edu

Journal of Computational Chemistry
|December 21, 2005
PubMed

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