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Domain Averaged Fermi hole Orbitals for Extended Systems
- 1.0364882 - ÚCHP 2012 CZ eng C - Conference Paper (international conference)
Baranov, A.I. - Kohout, M. - Ponec, Robert
Domain Averaged Fermi hole Orbitals for Extended Systems.
Book of Abstracts. Praha: Institute of Chemical Process Fundamentals of the ASCR. v. v. i, 2011, s. 7-8.
[Prague Workshop on Theoretical Chemistry. Praha (CZ), 26.09.2011-29.09.2011]
R&D Projects: GA ČR GA203/09/0118
Institutional research plan: CEZ:AV0Z40720504
Keywords : domain averaged fermi holes * bonding in solids
Subject RIV: CF - Physical ; Theoretical Chemistry
Current contribution presents the results of DAFH orbital analysis for several simple model systems like hydrogen lattices as well as for prototypic real solids with covalent, ionic and metallic bonding.
Permanent Link: http://hdl.handle.net/11104/0200251
Number of the records: 1