on RPA for metallic systems

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

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Daniele Varsano
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Re: on RPA for metallic systems

Post by Daniele Varsano » Wed Oct 11, 2023 4:58 pm

Dear Fadil,

EhEngyXd select the transitions in a range of energies defined as E_empty-E_occupied. Maybe it can be used to select intra or inter band transitions, but this actually depends on the band structure, ie if such transitions are sufficiently separated in energy.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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