Microscopic Density Functional Theory for Dendrimers

0355053 - ÚCHP 2011 RIV US eng J - Journal Article
Malijevský, Alexandr
Microscopic Density Functional Theory for Dendrimers.
Physical Review E. Roč. 80, č. 4 (2009), 042801-1-4. ISSN 1539-3755
Grant - others:EPSRC(GB) EP/E016340
Institutional research plan: CEZ:AV0Z40720504
Keywords : density functional theory * intermolecular forces * perturbation theory
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.400, year: 2009

Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory, which accounts for the hard-sphere repulsion of the segments and on the Wertheim first-order perturbation theory for the correlations due to connectivity. Set of the recurrence formulas for the ideal chain contribution involving simple integrals is derived. By using perturbation theory dispersion forces can be easily included.
Permanent Link: http://hdl.handle.net/11104/0193903