Diatomic molecule as a testbed for combining DMFT with electronic structure methods such as GW and DFT
نویسندگان
چکیده
منابع مشابه
Electronic Spectral Line Shape of a Diatomic Molecule
The electronic absorption spectral line shape of a diatomic molecule with harmonic potential curves is calculated using the time correlation function formalism. Both the equilibrium shift and the frequency shift of the two linking electronic states ate taken into account. The spectrum is also calculated using the cumulated expansion which is related to the correlation function of the time-d...
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متن کاملelectronic spectral line shape of a diatomic molecule
the electronic absorption spectral line shape of a diatomic molecule with harmonic potential curves is calculated using the time correlation function formalism. both the equilibrium shift and the frequency shift of the two linking electronic states ate taken into account. the spectrum is also calculated using the cumulated expansion which is related to the correlation function of the time-depen...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2017
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.95.155104