Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2003 / 11 Vol. 110; Iss. 4
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A derivation of the frozen-orbital unrestricted open-shell and restricted closed-shell second-order perturbation theory analytic gradient expressions
Christine M. Aikens, Simon P. Webb, Rob L. Bell, Graham D. Fletcher, Michael W. Schmidt, Mark S. GordonVolume:
110
Language:
english
Pages:
21
DOI:
10.1007/s00214-003-0453-3
Date:
November, 2003
File:
PDF, 454 KB
english, 2003