Metal clusters described in the framework of a simple tight binding model have been studied. Application of a dynamical approach (FOM), jointly with efficient storage of the sparse Hamiltonian matrix involved, is shown to allow direct evaluation of the electronic state density of sizable cubic-symmetry aggregates. © 2006 Wiley Periodicals, Inc.
Direct evaluation via forced oscillation method of the electronic state density of sizable clusters / R. Conte, G.P. Arrighini, C. Guidotti. - In: JOURNAL OF COMPUTATIONAL CHEMISTRY. - ISSN 0192-8651. - 28:2(2007 Jan 30), pp. 584-593. [10.1002/jcc.20501]
Direct evaluation via forced oscillation method of the electronic state density of sizable clusters
R. Conte
Primo
;
2007
Abstract
Metal clusters described in the framework of a simple tight binding model have been studied. Application of a dynamical approach (FOM), jointly with efficient storage of the sparse Hamiltonian matrix involved, is shown to allow direct evaluation of the electronic state density of sizable cubic-symmetry aggregates. © 2006 Wiley Periodicals, Inc.
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