6533b821fe1ef96bd127c26c
RESEARCH PRODUCT
Multiple scattering theory for non-local and multichannel potentials.
Keisuke HatadaPeter KrügerDidier SébilleauKuniko HayakawaCalogero R. NatoliOndřej ŠIprsubject
Density matrix[PHYS]Physics [physics][ PHYS ] Physics [physics]Absorption spectroscopyElectronic correlationChemistry02 engineering and technologyFunction (mathematics)Electron021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesKOHN-ROSTOKER METHODABSORPTION-SPECTRAExcited stateQuantum mechanics0103 physical sciencesMultiple scattering theoryGeneral Materials ScienceELECTRONMETALSAtomic physics010306 general physics0210 nano-technologyMultipletdescription
International audience; Methodological advances in multiple scattering theory (MST) in both wave and Green's function versions are reported for the calculation of electronic ground and excited state properties of condensed matter systems with an emphasis on core-level photoemission and absorption spectra. Full-potential MST is reviewed and extended to non-local potentials. Multichannel MST is reformulated in terms of the multichannel density matrix whereby strong electron correlation of atomic multiplet type can be accounted for in both ground and excited states.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-01-01 | Journal of physics. Condensed matter : an Institute of Physics journal |