Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium‐to‐large molecular systems

Publisher: John Wiley & Sons Inc

E-ISSN: 1097-461x|115|15|948-982

ISSN: 0020-7608

Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (ELECTRONIC), Vol.115, Iss.15, 2015-08, pp. : 948-982

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Abstract