Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density

Third-rank molecular hypermagnetizabilities were calculated based on continuous transformation of the origin of current density induced by a perturbing electromagnetic field. The results were found to depend linearly on a shift of origin. A permutation symmetry condition of tensor indices produced a...

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Autores principales: Caputo, M.C., Lazzeretti, P.
Formato: JOUR
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Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v116_n22_p9611_Caputo
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Sumario:Third-rank molecular hypermagnetizabilities were calculated based on continuous transformation of the origin of current density induced by a perturbing electromagnetic field. The results were found to depend linearly on a shift of origin. A permutation symmetry condition of tensor indices produced a natural criterion for the near-Hartree-Fock quality of computed values.