Note: Counterintuitive gauge-dependence of nuclear magnetic resonance shieldings for rare-gas dimers: Does a natural gauge-origin for spherical atoms exist?

O.L. Malkina, S. Komorovsky, L. Visscher, V.G. Malkin

Research output: Contribution to JournalArticleAcademicpeer-review

118 Downloads (Pure)

Abstract

A counterintuitive gauge-dependence of NMR shieldings for rare-gas dimers is presented and analyzed. It is shown that common belief about the existence of a natural gauge-origin for spherical atoms with respect to NMR shielding calculations is wrong. © 2011 American Institute of Physics.
Original languageEnglish
Pages (from-to)086101
JournalJournal of Chemical Physics
Volume134
DOIs
Publication statusPublished - 2011

Fingerprint Dive into the research topics of 'Note: Counterintuitive gauge-dependence of nuclear magnetic resonance shieldings for rare-gas dimers: Does a natural gauge-origin for spherical atoms exist?'. Together they form a unique fingerprint.

  • Cite this