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.
Mott, Reviews of Modern Physics40, 677 (1968)
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Enrico Fermi's legacy from his Varenna lectures has shaped milestones in laser spectroscopy, Bose-Einstein condensation, and quantum information science.
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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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The Legacy of Enrico Fermi to Varenna
Enrico Fermi's legacy from his Varenna lectures has shaped milestones in laser spectroscopy, Bose-Einstein condensation, and quantum information science.