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4.1 Electron-electron interaction in nanosystems 69<br />

the energy spectrum E(q, λ) of the isolated molecule, where q is the charge<br />

state, and λ is the eigenstate in this charge state. Finally, for nanosystems we<br />

understand the charging energy as the minimal energy required to add one<br />

electron to the neutral system, and the level spacing as the typical energy<br />

difference between two levels of the system in the same charge state.<br />

The consideration in this chapter is devoted mostly to the case of the dense<br />

energy spectrum ∆ɛ ≪ EC, when the directness of the energy levels can be<br />

neglected or taken into account within the simplified models.<br />

It is reasonable to note here, that the last very important energy scale is<br />

the temperature T . Both discrete energy spectrum and charging effects can<br />

be observed only if the temperature is lower, than the corresponding energy<br />

scales<br />

T ≪ ∆ɛ, T ≪ EC. (4.6)<br />

4.1.3 Anderson-Hubbard and constant-interaction models<br />

To take into account both discrete energy levels of a system and the electronelectron<br />

interaction, it is convenient to start from the general Hamiltonian<br />

ˆH = <br />

αβ<br />

˜ɛαβd † αdβ + 1<br />

2<br />

<br />

αβγδ<br />

Vαβ,γδd † αd †<br />

β dγdδ. (4.7)<br />

The first term of this Hamiltonian is a free-particle discrete-level model (2.8)<br />

with ˜ɛαβ including electrical potentials. And the second term describes all<br />

possible interactions between electrons and is equivalent to the real-space<br />

Hamiltonian<br />

ˆHee = 1<br />

<br />

2<br />

<br />

dξ<br />

where ˆ ψ(ξ) are field operators<br />

dξ ′ ˆ ψ † (ξ) ˆ ψ † (ξ ′ )V (ξ,ξ ′ ) ˆ ψ(ξ ′ ) ˆ ψ(ξ), (4.8)<br />

ˆψ(ξ) = <br />

ψα(ξ)dα, (4.9)<br />

α<br />

ψα(ξ) are the basis single-particle functions, we remind, that spin quantum<br />

numbers are included in α, and spin indices are included in ξ ≡ r,σ as variables.<br />

The matrix elements are defined as<br />

<br />

Vαβ,γδ = dξ dξ ′ ψ ∗ α(ξ)ψ ∗ β(ξ ′ )V (ξ,ξ ′ )ψγ(ξ)ψδ(ξ ′ ). (4.10)<br />

For pair <strong>Coulomb</strong> interaction V (|r|) the matrix elements are<br />

Vαβ,γδ = <br />

<br />

dr<br />

σσ ′<br />

dr ′ ψ ∗ α(r,σ)ψ ∗ β(r ′ ,σ ′ )V (|r − r ′ |)ψγ(r,σ)ψδ(r ′ ,σ ′ ).<br />

(4.11)

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