First-principles photoemission spectroscopy and orbital tomography in molecules from koopmans-compliant functionals

Physical Review Letters

Volumn 114, Issue 16, 2015, Pages

  Nguyen, Ngoc Linh ^a   Borghi, Giovanni ^a   Ferretti, Andrea ^b   Dabo, Ismaila ^c   Marzari, Nicola ^a  

^a EPFL   (Switzerland)

^b CNR   (Italy)

^c PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; PHOTOELECTRON SPECTROSCOPY; TOMOGRAPHY;

CHARGED EXCITATIONS; ENERGY FUNCTIONALS; FIRST PRINCIPLES; MOLECULAR PHOTOEMISSION; PIECEWISE LINEARITIES; QUASI-PARTICLE APPROXIMATION; SPECTRAL PROPERTIES; ULTRAVIOLET PHOTOEMISSION SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

EID: 84929598367     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.114.166405     Document Type: Article

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