Nuclear quadrupole coupling of O-17 and S-33 in ionic solids: Invalidation of the Sternheimer model by short-range corrections
Electronic structure calculations of electric field gradients (EFG) at the nuclei of the anions F-, O2-, and S2- for distorted octahedral environments representing the condensed phases of LiF, MgO, and MgS show dominant short-range corrections to the Sternheimer model. In this model, the EFG at the...
| Main Authors: | , , , |
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| פורמט: | Journal article |
| שפה: | English |
| יצא לאור: |
2002
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