Original title: Domain Averaged Fermi hole Orbitals for Extended Systems
Authors: Baranov, A.I. ; Kohout, M. ; Ponec, Robert
Document type: Papers
Conference/Event: Prague Workshop on Theoretical Chemistry, Praha (CZ), 2011-09-26 / 2011-09-29
Year: 2011
Language: eng
Abstract: 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.
Keywords: bonding in solids; domain averaged fermi holes
Project no.: CEZ:AV0Z40720504 (CEP), GA203/09/0118 (CEP)
Funding provider: GA ČR
Host item entry: Book of Abstracts

Institution: Institute of Chemical Process Fundamentals AS ČR (web)
Original record: http://hdl.handle.net/11104/0200251

Permalink: http://www.nusl.cz/ntk/nusl-55964


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