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Definition of invariant molecular tensors in an origin change. I. General formalism (1980)

Duprez-Quesnoit, C. ; Tillieu, J.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 17 (1980), S. 155-167

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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: Among the tensors used in the published literature to characterize a phenomenon of nonlinear optics, some are not invariant under a change of origin. In this paper, we show that this invariance can be obtained in a general manner, if the densities of electric and magnetic polarization are not separated but replaced by a density of magnetoelectric polarization whose quantum calculation is performed for a molecular crystal.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560170202

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