Published May 12, 2010 | Version v1
Journal article

Origin of dissipative dynamics in correlated few electron systems

Creators

  • 1. Theoretische Chemie, TU Muenchen, Lichtenbergstr. 4, 85747 Garching (Germany)

Description

Graphical abstract: Unidirectional dynamics in the valence electron system of sodium clusters of different sizes. - Abstract: We investigate the origin of the quasi-unidirectional behaviour of the entropy of the valence electrons of Nan clusters with n=2-8. The multi-electron wave function is propagated using the explicitly time-dependent configuration interaction approach, from which the dynamics of the reduced density operator can be calculated accurately. The entropy, as calculated from the reduced density operator, depends on the populations of the natural orbitals, for which a markedly different time dependence is found, compared to the populations of the Hartree-Fock orbitals.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.chemphys.2010.02.009

Additional details

Identifiers

DOI
10.1016/j.chemphys.2010.02.009;
PII
S0301-0104(10)00057-1;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
370
Journal Issue
1-3
Journal Page Range
p. 119-123
ISSN
0301-0104
CODEN
CMPHC2

Optional Information

Copyright
Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.