Three-dimensional models of the quantum-mechanical current density induced in theelectrons of LiH, BeH2, and CO2 molecules by a magnetic field applied perpendicularly to the bond axis have been constructed at the Hartree-Fock level of accuracy. The topological features of the current density vector field are described via a stagnation graph that contains the isolated points and the lines at which the current vanishes, and by spatial and planar streamline plots.

Topological models of magnetic-field induced current-density field in small molecules / Pelloni, Stefano; Lazzeretti, Paolo; Zanasi, Riccardo. - In: THEORETICAL CHEMISTRY ACCOUNTS. - ISSN 1432-881X. - STAMPA. - 123:(2009), pp. :353-:364. [10.1007/s00214-009-0530-3]

Topological models of magnetic-field induced current-density field in small molecules

PELLONI, Stefano;LAZZERETTI, Paolo;ZANASI, Riccardo
2009

Abstract

Three-dimensional models of the quantum-mechanical current density induced in theelectrons of LiH, BeH2, and CO2 molecules by a magnetic field applied perpendicularly to the bond axis have been constructed at the Hartree-Fock level of accuracy. The topological features of the current density vector field are described via a stagnation graph that contains the isolated points and the lines at which the current vanishes, and by spatial and planar streamline plots.
2009
123
:353
:364
Topological models of magnetic-field induced current-density field in small molecules / Pelloni, Stefano; Lazzeretti, Paolo; Zanasi, Riccardo. - In: THEORETICAL CHEMISTRY ACCOUNTS. - ISSN 1432-881X. - STAMPA. - 123:(2009), pp. :353-:364. [10.1007/s00214-009-0530-3]
Pelloni, Stefano; Lazzeretti, Paolo; Zanasi, Riccardo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/613187
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