Physics NotePublished
First-Principles Calculations of Mössbauer Hyperfine Parameters for Solids and Large Molecules
D. Guenzburger; D.E. Ellis; Z. Zeng
1997
Publication details
- Authors
- D. Guenzburger; D.E. Ellis; Z. Zeng
- Type
- Physics Note
- Status
- Published
- Publication date
- 1997
- Description
- Electronic structure calculations based on Density Functional theory were performed for solids and large molecules . The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Mössbauer hyperfine parameters were derived.
- Year
- 1997
- Number
- CBPF-NF-065/97
- Linked to a thesis
- No
- Linked to a grant
- No