Electron-gas theory of the chemical shift
Year: 1990
Type: article
Abstract: We construct a gauge-invariant approximation of the energy density of an interacting electron gas in the presence of a non-uniform magnetic field. The interaction is approximated by a slowly varying local potential. The magnetic field is a superposition of a constant field B and that due to a magnetic dipole μ, thus making the energy density suitable for direct calculation of chemical-shift tensors of, for example, interacting closed-shell systems. Unlike a similar theory for the magnetic susceptibility, the field-dependent exchange energy does not diverge.
Source: Molecular Physics
Authors: Christopher J. Grayce, Robert A. Harris
Institution: University of California, Berkeley
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2071385302