Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

Journal of Chemical Physics

Volumn 143, Issue 7, 2015, Pages

  Grell, Gilbert ^a   Bokarev, Sergey I ^a   Winter, Bernd ^b   Seidel, Robert ^b   Aziz, Emad F ^b,c   Aziz, Saadullah G ^d   Kühn, Oliver ^a  

^a UNIVERSITY OF ROSTOCK   (Germany)

^b HAHN MEITNER INSTITUT   (Germany)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

^d KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFICIENCY; ELECTRONIC STRUCTURE; IONIZATION; IONIZATION OF GASES; IONIZATION OF LIQUIDS; METAL COMPLEXES; MOLECULES; PHOTOELECTRONS; PHOTONS; TRANSITION METAL COMPOUNDS; TRANSITION METALS; WAVE FUNCTIONS; X RAY PHOTOELECTRON SPECTROSCOPY;

BI-ORTHONORMAL BASIS; COMPUTATIONAL ALGORITHM; CORE LEVEL PHOTOELECTRONS; PHOTOELECTRON SPECTRUM; SELF-CONSISTENT FIELD METHOD; SUDDEN APPROXIMATION; WEALTH OF INFORMATION; X RAY PHOTOELECTRON SPECTRA;

PHOTOELECTRON SPECTROSCOPY;

EID: 84939792079     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4928511     Document Type: Article

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