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Abstracts
High-resolution measurements of Compton profiles on C_{60} as well as K_{x} C_{60} have been carried out using 16 keV photons at LURE (Orsay, France) and at ESRF (Grenoble, France). Theoretical profiles are obtained using the plane wave expansion of wave functions from an ab-initio self-consistent field calculation of the energy band-structure. The linear combination of atomic orbitals method within the local-density-approximation has been employed for the calculation. In all cases, the agreement between theory and experiment is excellent. The C_{60} profiles indicate substantially greater delocalization of the ground-state charge density, compared to graphite. We have demonstrated, both by experiment and calculation, that the delocalization in C_{60} is mainly a molecular effect.
Journal
Year
Volume
Issue
Pages
681-687
Physical description
Dates
published
1997-04
Contributors
author
- LMCP, Université Paris VI, case 115, 4 place Jussieu, 75252 Paris Cedex 05
author
- LMCP, Université Paris VI, case 115, 4 place Jussieu, 75252 Paris Cedex 05
author
- LPMD, Université Paris XII, 61 av. Gl de Gaulle, 94010 Créteil Cedex
author
- LURE, bât. 209, Université Paris-Sud, 91405 Orsay Cedex, France
author
- Dpt. Electrical Engineering, Univ. of Pennsylvania, Philadelphia, PA 19104-6390, USA
author
- Complex Systems Theory Branch, Naval Research Lab., Washington, DC 20375, USA
References
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Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv91z408kz