Coupling and dissociation in artificial molecules |
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Authors: | C Yannouleas U Landman |
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Institution: | (1) School of Physics, Georgia Institute of Technology, Atlanta, GA 30332-0430, USA, GE |
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Abstract: | We show that the spin-and-space unrestricted Hartree-Fock method, in conjunction with the companion step of the restoration
of spin and space symmetries via Projection Techniques (when such symmetries are broken), is able to describe the full range of couplings in two-dimensional
double quantum dots, from the strong-coupling regime exhibiting delocalized molecular orbitals to the weak-coupling and dissociation
regimes associated with a Generalized Valence Bond combination of atomic-type orbitals localized on the individual dots. The
weak-coupling regime is always accompanied by an antiferromagnetic ordering of the spins of the individual dots. The cases
of dihydrogen (H2, 2e) and dilithium (Li2, 6e) quantum dot molecules are discussed in detail.
Received 19 December 2000 |
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Keywords: | PACS 73 21 La Quantum dots – 85 35 -p Nanoelectronic devices – 31 15 Rh Valence bond calculations |
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