Models for the hydrogen atom confined within crystalline quartz
- 1 November 1983
- journal 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
This publication has 16 references indexed in Scilit:
- Remarks concerning molecural interaction and their influence on the polarisabilityPublished by Elsevier ,2006
- EPR of atomic hydrogen 1H and 2H in α-quartzJournal of Physics and Chemistry of Solids, 1983
- Hydrogen atom in a spherical box. II. Effect on hyperfine energy of excited state admixtureThe Journal of Chemical Physics, 1979
- The hydrogen atom within spherical boxes with penetrable wallsThe Journal of Chemical Physics, 1979
- SCF calculations for hydrogen in a spherical boxThe Journal of Chemical Physics, 1977
- On the hyperfine splitting of the hydrogen atom in a spherical boxThe Journal of Chemical Physics, 1976
- Atomic hydrogen in α-quartzJournal of Magnetic Resonance (1969), 1974
- Thermodynamic Properties of Nonideal Gases. I. Free-Energy Minimization MethodPhysical Review B, 1969
- Electron Spin Resonance of Irradiated Quartz: Atomic HydrogenThe Journal of Chemical Physics, 1965
- On the energy levels of a model of the compressed hydrogen atomPhysica, 1946