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Abstract:

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.

Registro:

Documento: Artículo
Título:Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
Autor:Caputo, M.C.; Lazzeretti, P.
Filiación:Departamento de Física, Universidad de Buenos Aires, Ciudad Universitaria, (1428) Buenos Aires, Argentina
Dipartimento di Chimica dell'Università degli Studi di Modena e Reggio Emilia, Via Campi 183, 41100 Modena, Italy
Palabras clave:Computational methods; Current density; Diamagnetism; Electromagnetic field effects; Magnetic susceptibility; Paramagnetism; Tensors; Hypermagnetizability; Molecular physics
Año:2002
Volumen:116
Número:22
Página de inicio:9611
Página de fin:9615
DOI: http://dx.doi.org/10.1063/1.1477458
Título revista:Journal of Chemical Physics
Título revista abreviado:J Chem Phys
ISSN:00219606
CODEN:JCPSA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v116_n22_p9611_Caputo

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Citas:

---------- APA ----------
Caputo, M.C. & Lazzeretti, P. (2002) . Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density. Journal of Chemical Physics, 116(22), 9611-9615.
http://dx.doi.org/10.1063/1.1477458
---------- CHICAGO ----------
Caputo, M.C., Lazzeretti, P. "Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density" . Journal of Chemical Physics 116, no. 22 (2002) : 9611-9615.
http://dx.doi.org/10.1063/1.1477458
---------- MLA ----------
Caputo, M.C., Lazzeretti, P. "Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density" . Journal of Chemical Physics, vol. 116, no. 22, 2002, pp. 9611-9615.
http://dx.doi.org/10.1063/1.1477458
---------- VANCOUVER ----------
Caputo, M.C., Lazzeretti, P. Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density. J Chem Phys. 2002;116(22):9611-9615.
http://dx.doi.org/10.1063/1.1477458