A new theory rationalizing molecular magnetic susceptibility in terms of atomic contribution is presented. The proposed atomic susceptibilities are proved numerically to be near gauge independent. A first set of theoretical atomic magnetic susceptibilities for O, N, C, and H, obtained from calculations of magnetic properties of water, ammonia, and methane molecules which are among the best available so far, is given.
Theory of magnetic susceptibility in terms of atomic quantities / R., Zanasi; Lazzeretti, Paolo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 85:(1986), pp. 5924-5931.
Theory of magnetic susceptibility in terms of atomic quantities
LAZZERETTI, Paolo
1986
Abstract
A new theory rationalizing molecular magnetic susceptibility in terms of atomic contribution is presented. The proposed atomic susceptibilities are proved numerically to be near gauge independent. A first set of theoretical atomic magnetic susceptibilities for O, N, C, and H, obtained from calculations of magnetic properties of water, ammonia, and methane molecules which are among the best available so far, is given.
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
