A series of quantum mechanical sum rules arising from application of the virial theorem to the electrons of a molecule in the presence of electric and magnetic fields has been obtained. The virial constraints are written in terms of nuclear shielding tensors related to geometrical derivatives of second- and third-order molecular properties.
Quantum-mechanical virial sum rules for a molecule in electric and magnetic fields / Lazzeretti, Paolo. - In: GAZZETTA CHIMICA ITALIANA. - ISSN 0016-5603. - STAMPA. - 126:(1996), pp. 285-288.
Quantum-mechanical virial sum rules for a molecule in electric and magnetic fields
LAZZERETTI, Paolo
1996
Abstract
A series of quantum mechanical sum rules arising from application of the virial theorem to the electrons of a molecule in the presence of electric and magnetic fields has been obtained. The virial constraints are written in terms of nuclear shielding tensors related to geometrical derivatives of second- and third-order molecular properties.
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
