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Rotational–vibrational matrix elements for Kratzer oscillators (1989)

Francés, J. M. ; Zúñiga, J. ; Alacid, M. ; [et al.]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 90 (1989), S. 5536-5540

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: Several recursion relations connecting Kratzer oscillator matrix elements of different operators are derived using the hypervirial theorem. These relations can be easily used to calculate such matrix elements, either numerically or by developing analytical expressions. In particular, analytical expressions for the matrix elements of the xα and xαd/dx operators, where x is an internuclear separation coordinate, are obtained.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.456406

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