Molecular physics, 1994-09, Vol.83 (1), p.1-8
1994
Volltextzugriff (PDF)
Details
- Autor(en) / Beteiligte
- Titel
- Theoretical study of the low-lying states of GeC
- Ist Teil von
- Molecular physics, 1994-09, Vol.83 (1), p.1-8
- Ort / Verlag
- London: Taylor & Francis Group
- Erscheinungsjahr
- 1994
- Quelle
- Taylor & Francis
- Beschreibungen/Notizen
- Energies and structural properties of the valence electronic states of the as yet unknown GeC molecule have been determined via ab initio multireference configuration interaction calculations. The ground state is found to have a 3 Π symmetry. A simple discussion relating to the nature of the ground state of group IV-A diatomics is given on the basis of a competition between orbital energies and Coulombic effects.
- Sprache
- Englisch
- Identifikatoren
- ISSN: 0026-8976eISSN: 1362-3028DOI: 10.1080/00268979400101041Titel-ID: cdi_crossref_primary_10_1080_00268979400101041
- Format
- –
- Schlagworte
- Ab initio calculations, Atomic and molecular physics, Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations), Electron correlation calculations for atoms and molecules, Electronic structure of atoms, molecules and their ions: theory, Exact sciences and technology, Physics