Digitale Medien
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
17 (1980), S. 931-942
ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The energy levels and perturbation expansions for the expectation values of arbitrary powers of position for a perturbed Morse oscillator are obtained by application of the hypervirial and Hellmann-Feynman theorems, solely in terms of the unperturbed energy. We obtain expressions for the first-order corrections for (1 - e-aq )m for 4 ≤ m ≤ 8 and the expressions to second and third order for the quartic perturbation. A numerical application to the CO molecule is made.
Zusätzliches Material:
9 Tab.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560170508
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