On the performance of the open-shell perturbation theory
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s11426-010-4199-1.pdf
Reference40 articles.
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3. Schlegel HB. Potential energy curves using unrestricted Møller-Plesset perturbation theory with spin annihilation. J Chem Phys, 1986, 84: 4530–4534
4. Roothaan CC. Self-consistent field theory for open-shells of electronic systems. Rev Mod Phys, 1960, 32: 179–185
5. Hubač I, Čársky P. Correlation energy of open-shell systems. Phys Rev A, 1980, 22: 2392–2399
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