Lookup NU author(s): Professor Patrick Briddon
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A quantum Monte Carlo (QMC) study of the optical and diffusive properties of the vacancy defect in diamond was presented. The guiding wave functions of the Slater-Jastrow type with symmetrized multideterminant Slater parts was used to model the multiplet structure of the defect. The results showed that the QMC techniques are applicable to a wide range of real materials and hold great promise as an accurate computational method to enhance the understanding of the nature of defects in solids.
Author(s): Hood RQ, Kent PRC, Needs RJ, Briddon PR
Publication type: Article
Publication status: Published
Journal: Physical Review Letters
ISSN (print): 0031-9007
ISSN (electronic): 1079-7114
Publisher: American Physical Society
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