Back to Search
Start Over
Magnetic field dependence of nuclear magnetic shielding in closed-shell atomic systems
- Source :
- Chemical Physics Letters. 372:750-757
- Publication Year :
- 2003
- Publisher :
- Elsevier BV, 2003.
-
Abstract
- We present a response theory formulation for the dependence of nuclear magnetic shielding on the external magnetic field B 0 in closed-shell atomic systems. The dependence appears in even powers of B 0 , 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.
- Subjects :
- 010304 chemical physics
Field (physics)
Chemistry
General Physics and Astronomy
Noble gas
Alkali metal
01 natural sciences
Magnetic field
Nonlinear system
Ab initio quantum chemistry methods
0103 physical sciences
Electromagnetic shielding
Physics::Atomic and Molecular Clusters
Physics::Atomic Physics
Physical and Theoretical Chemistry
Atomic physics
010306 general physics
Open shell
Subjects
Details
- ISSN :
- 00092614
- Volume :
- 372
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........19744bc7eb103e1ad4232dc339fc2736
- Full Text :
- https://doi.org/10.1016/s0009-2614(03)00502-5