Title of article :
Magnetic field dependence of nuclear magnetic shielding in closed-shell atomic systems
Author/Authors :
Vaara، نويسنده , , Juha and Manninen، نويسنده , , Pekka and Lounila، نويسنده , , Juhani، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Abstract :
We present a response theory formulation for the dependence of nuclear magnetic shielding on the external magnetic field B0 in closed-shell atomic systems. The dependence appears in even powers of B0, and we include terms up to the sixth power of the field. Calculations are carried out for the field-dependence coefficient τ for noble gas atoms as well as halogen and alkali metal ions, based on a nonrelativistic reference state, using self-consistent field (SCF) and correlated multiconfigurational SCF linear and nonlinear response methods.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters