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https://hdl.handle.net/20.500.14279/1468| Title: | Hartree-fock cluster investigations of electronic structure and nuclear quadrupole interaction in the superionic conductor li3n | Authors: | Mishra, Kailash C. Das, Tara Prasad Kelires, Pantelis C. |
metadata.dc.contributor.other: | Κελίρης, Παντελής | Keywords: | Electronic structure;Ions;Lithium;Nitrides | Issue Date: | 1987 | Source: | Hyperfine Interactions,1987, Volume 34, Issue 1-4, Pages 289-292 | Abstract: | The nuclear quadrupole interactions for7Li and14N nuclei are studied for lithium nitride crystal using the Hartree-Fock cluster procedure to obtain the electronic structure. The influence of the Madelung potential due to the ions outside the cluster was incorporated in a first-principle manner. Our results for the quadrupole coupling constants will be compared with experimental data and the results of a recent band calculation. | URI: | https://hdl.handle.net/20.500.14279/1468 | ISSN: | 0304-3843 (print) 1572-9540 (online) |
DOI: | 10.1007/BF02072723 | Rights: | © 1987 J.C. Baltzer A.G., Scientific Publishing Company. | Type: | Article | Affiliation: | University of New York at Albany |
| Appears in Collections: | Άρθρα/Articles |
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