CALCULATIONS OF THE HYPERFINE PARAMETERS OF BOND CENTERED MUONIUM IN DIAMOND

Authors
PASCHEDAG N VOGEL S NEBER H MEIER PF
Citation
N. Paschedag et al., CALCULATIONS OF THE HYPERFINE PARAMETERS OF BOND CENTERED MUONIUM IN DIAMOND, Hyperfine interactions, 86(1-4), 1994, pp. 729-734
Citations number
17
Categorie Soggetti
Physics, Atomic, Molecular & Chemical","Physics, Nuclear","Physics, Condensed Matter
Journal title
Hyperfine interactions → ACNP
ISSN journal
03043843
Volume
86
Issue
1-4
Year of publication
1994
Pages
729 - 734
Database
ISI
SICI code
0304-3843(1994)86:1-4<729:COTHPO>2.0.ZU;2-I
Abstract
The electronic structure of hydrogen and muonium at the bond-centered site in diamond is investigated using ab initio cluster calculations. Correlation effects are accounted for by a configuration interaction e xpansion and by the local density approximation in the density functio nal approach. The hyperfine and superhyperfine parameters for anomalou s muonium are determined by averaging over the spread of the muon wave function. Good agreement with experimental hyperfine parameters is fo und.