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

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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

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