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Perturbation for a rigid rotator in an electric field (1982)

Requena, A. ; Peña, R. ; Serna, A.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 22 (1982), S. 1263-1270

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The behavior of a rigid rotor perturbed by an electric field is studied. An hypervirial calculation, to obtain the perturbation series without calculation of the perturbed wavefunctions, is used to determine the Stark-shifted eigenvalues. A numerical estimation of the m equals; 0 → m = 1 transition for the lowest vibrational state (v = 0) and the first rotational state (J = 1) for the HF and DF molecules using Padé approximants is made.

Additional Material: 5 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560220609

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