CC  Vol.3 No.2 , April 2015
The Cluster Fe2Si18 as the New Quantum Bit System
Abstract: Multiconfiguration quantum chemical calculation of geometry and electron properties of Fe2Si18 cluster indicates on the predictable change of spin states as a function of the excitation energy beginning from ground state with the total spin S = 4. The charges on the two Fe atoms are quite different as well as the charge distribution on the surrounding Si atoms. Nevertheless the total dipole moment of the cluster is a monotonically decreasing function of the excitation energy and it reaches practically zero value in the first singlet state in which the cluster represents a new version of a quibit system.
Cite this paper: Simon, K. and Tulub, A. (2015) The Cluster Fe2Si18 as the New Quantum Bit System. Computational Chemistry, 3, 23-28. doi: 10.4236/cc.2015.32004.

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