The electric shielding of a nucleus in a molecule can be expressed in terms of the gradient of the molecular wavefunction. This gradient can be evaluated analytically via perturbation theory, introducing the Hamiltonian in the acceleration gauge.

The gradient of a molecular wavefunction and its relation to the nuclear electric shielding / Lazzeretti, Paolo; R., Zanasi. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 118:(1985), pp. 217-220.

The gradient of a molecular wavefunction and its relation to the nuclear electric shielding

LAZZERETTI, Paolo;
1985

Abstract

The electric shielding of a nucleus in a molecule can be expressed in terms of the gradient of the molecular wavefunction. This gradient can be evaluated analytically via perturbation theory, introducing the Hamiltonian in the acceleration gauge.
1985
118
217
220
The gradient of a molecular wavefunction and its relation to the nuclear electric shielding / Lazzeretti, Paolo; R., Zanasi. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 118:(1985), pp. 217-220.
Lazzeretti, Paolo; R., Zanasi
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

Licenza Creative Commons
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

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/454502
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 16
  • ???jsp.display-item.citation.isi??? 19
social impact