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Reduced density matrix and combined dynamics of electrons and nuclei
Nuclear dynamics is incorporated into an efficient density matrix formalism of electronic dynamics which has been applied to molecular systems containing thousands of atoms. The formalism for the combined dynamics of ...
Lattice and spin polarons in two dimensions
A variational approach is employed to compute the wave function of a single polaron for a two-dimensional Holstein Hamiltonian with arbitrary forms of linear particle–boson interactions and boson dispersion relations. The ...