THEORETICAL-STUDY OF THE MAGNETIC-PROPERTIES OF A METHANE MOLECULE INA NONUNIFORM MAGNETIC-FIELD

Authors
CAPUTO MC FERRARO MB LAZZERETTI P MALAGOLI M ZANASI R
Citation
Mc. Caputo et al., THEORETICAL-STUDY OF THE MAGNETIC-PROPERTIES OF A METHANE MOLECULE INA NONUNIFORM MAGNETIC-FIELD, Physical review. A, 49(5), 1994, pp. 3445-3449
Citations number
17
Categorie Soggetti
Physics
Journal title
Physical review. A → ACNP
ISSN journal
10502947
Volume
49
Issue
5
Year of publication
1994
Part
A
Pages
3445 - 3449
Database
ISI
SICI code
1050-2947(1994)49:5<3445:TOTMOA>2.0.ZU;2-T
Abstract
Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacti ng with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations w ithin the random-phase approximation. The Hartree-Fock limit of accura cy has been achieved and the quality of the calculations has been conf irmed via tests based on sum rules for the origin dependence of the re sponse properties.