Artículo
Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. "Nonlinear response of the benzene molecule to strong magnetic fields" (2005) Journal of Chemical Physics. 122(7)
Consulte la política de Acceso Abierto del editor
Abstract:
The fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree-Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C-C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density.
Registro:
| Documento: | Artículo |
| Título: | Nonlinear response of the benzene molecule to strong magnetic fields |
| Autor: | Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. |
| Filiación: | Departamento de Física, Facultad de Ciencias Exactas y Naturales, Pabellon i, (1428) Buenos Aires, Argentina Dipartimento di Chimica, Università Degli Studi di Modena e Reggio Emilia, Via Campi 183, 41100 Modena, Italy |
| Palabras clave: | Charge density; Feedback effects; Lorentz force; Tensor components; Convergence of numerical methods; Current density; Electric charge; Feedback; Magnetic fields; Magnetization; Tensors; Benzene |
| Año: | 2005 |
| Volumen: | 122 |
| Número: | 7 |
| DOI: | http://dx.doi.org/10.1063/1.1850099 |
| Título revista: | Journal of Chemical Physics |
| Título revista abreviado: | J Chem Phys |
| ISSN: | 00219606 |
| CODEN: | JCPSA |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v122_n7_p_Pagola.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v122_n7_p_Pagola |
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Citas:
---------- APA ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B. & Lazzeretti, P. (2005) . Nonlinear response of the benzene molecule to strong magnetic fields. Journal of Chemical Physics, 122(7).http://dx.doi.org/10.1063/1.1850099
---------- CHICAGO ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. "Nonlinear response of the benzene molecule to strong magnetic fields" . Journal of Chemical Physics 122, no. 7 (2005).http://dx.doi.org/10.1063/1.1850099
---------- MLA ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. "Nonlinear response of the benzene molecule to strong magnetic fields" . Journal of Chemical Physics, vol. 122, no. 7, 2005.http://dx.doi.org/10.1063/1.1850099
---------- VANCOUVER ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. Nonlinear response of the benzene molecule to strong magnetic fields. J Chem Phys. 2005;122(7).http://dx.doi.org/10.1063/1.1850099
