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 language | English |
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Pages (from-to) | 086101 |
Journal | Journal of Chemical Physics |
Volume | 134 |
DOIs | |
Publication status | Published - 2011 |