Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connec...
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| Otros Autores: | , , |
| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
2005
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |
| Sumario: | The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connecting electric dipole polarisability, polarisability of magnetisability, and other third- and fourth-rank tensors that can be regarded as intrinsic molecular properties tout court, have been obtained. Numerical tests have been carried out to determine the Hartree-Fock limit for the sum-rules in a set of small molecules. © 2005 Elsevier B.V. All rights reserved. |
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| ISSN: | 00092614 |
| DOI: | 10.1016/j.cplett.2005.04.055 |