A variational ab initio framework for electron and hole polarons that couples to all phonons, formulated as a nonlinear eigenvalue problem in Kohn-Sham and phonon bases and demonstrated on LiF and Li2O2 without supercells.
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A Feynman-Kac formula is proved for the ultraviolet-renormalized spin-boson model, showing that ground state existence for infrared-regular versions survives removal of the ultraviolet cutoff.
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Ab initio theory of polarons: formalism and applications
A variational ab initio framework for electron and hole polarons that couples to all phonons, formulated as a nonlinear eigenvalue problem in Kohn-Sham and phonon bases and demonstrated on LiF and Li2O2 without supercells.
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A Feynman-Kac Formula for the Subcritical Ultraviolet-Renormalized Spin Boson Model
A Feynman-Kac formula is proved for the ultraviolet-renormalized spin-boson model, showing that ground state existence for infrared-regular versions survives removal of the ultraviolet cutoff.