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Cubic harmonics in Cartesian coordinates (1977)

Kwiatkowski, T. ; Olszewski, S. ; Wierzbicki, A.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 11 (1977), S. 21-47

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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: A full set of harmonics which are at the basis of all irreducible representations of the cubic point group and having order l ≤ 16 has been calculated in terms of Cartesian coordinates. Due to their complication, former calculations of harmonics in Cartesian coordinates for half of the irreducible representations did not exceed l = 6. The method presented in this paper is a modification of that originally given by Von der Lage and Bethe; it can be readily applied to the calculation of harmonics of arbitrary order for any irreducible representation of the cubic point group.

Additional Material: 2 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560110104

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