Ansatz for the evaluation of the relativistic contributions to core ionization energies in complex molecules involving heavy atoms

International Journal of Quantum Chemistry

Volumn 104, Issue 4 SPEC. ISS., 2005, Pages 397-410

  Maruani, J ^a,d   Kuleff, A I ^b   Chong, D P ^c   Bonnelle, C ^a  

^a SORBONNE UNIVERSITÉ   (France)

^b INSTITUTE FOR NUCLEAR RESEARCH AND NUCLEAR ENERGY   (Bulgaria)

^c UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^d UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

1s, 2s; 2p core ionizations; Allometric fits; Relativistic; Spin orbitand QED contributions

Indexed keywords

CHEMICAL ELEMENTS; COMPUTATIONAL METHODS; HIGH ENERGY PHYSICS; LITHIUM COMPOUNDS; MOLECULES; XENON;

1S, 2S; 2P CORE IONIZATIONS; ALLOMETRIC FITS; NONRELATIVISTIC CALCULATIONS; RELATIVISTIC; SPIN-ORBITAND CONTRIBUTATIONS;

IONIZATION;

EID: 23944523409     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20622     Document Type: Article

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