journal article·2001-05

Electronic correlations in a two-level dimer

Lazaro A. Macedo, Roberto E. Lagos

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Abstract

The exact solution for the full electronic Hamiltonian for a two-level dimer is obtained. The parameter constellation (roughly 20) is reparametrized via orthogonal Gaussian atomic orbitals, yielding a five-parameter model. With the dimer embedded in a thermal bath, the specific heat and several temperature-dependent dynamical susceptibilities are computed.
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Research context

OpenAlex topics: Advanced Chemical Physics Studies · Advanced Physical and Chemical Molecular Interactions · Spectroscopy and Quantum Chemical Studies

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