Models for the hydrogen atom confined within crystalline quartz
- 1 November 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (9), 4363-4366
- https://doi.org/10.1063/1.446318
Abstract
Simple cylindrical models of a hydrogen atom confined in crystalline quartz are considered. The isotropic and anisotropic components of the hyperfine splitting are evaluated by solving numerically the appropriate two‐dimensional Schrödinger equation, utilizing an adaptation of a finite element package previously described. The results show good agreement with electron paramagnetic resonance data, and given an estimate of d‐orbital admixture in the H‐atom ground state orbital.Keywords
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