Title of article :
Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system
Author/Authors :
Soncini، نويسنده , , Alessandro and Lazzeretti، نويسنده , , Paolo and Zanasi، نويسنده , , Riccardo، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Pages :
6
From page :
21
To page :
26
Abstract :
The quantum mechanical current density induced by a magnetic field in the electrons of a molecule evaluated via theoretical schemes based on ‘continuous transformation of the origin of the current density’ (CTOCD), is independent of the origin of the coordinate system, irrespective of other approximations retained in the calculation. Nuclear magnetic shieldings determined by continuous transformation of the origin of the current density are intrinsically origin independent. These statements are also proven for damped CTOCD schemes. Integral conditions for charge-current conservation, equivalent to those for gauge invariance, are satisfied exactly within CTOCD methods for symmetry reasons, e.g., for centrosymmetric molecules.
Journal title :
Chemical Physics Letters
Serial Year :
2006
Journal title :
Chemical Physics Letters
Record number :
1917909
Link To Document :
بازگشت