Bond breaking and bond formation: How electron correlation is captured in many-body perturbation theory and density-functional theory

Physical Review Letters

Volumn 110, Issue 14, 2013, Pages

  Caruso, Fabio ^a   Rohr, Daniel R ^a,b   Hellgren, Maria ^c   Ren, Xinguo ^a   Rinke, Patrick ^a   Rubio, Angel ^a,d,e   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b RICE UNIVERSITY   (United States)

^c SISSA   (Italy)

^d UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^e European Theoretical Spectroscopy Facility   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BOND FORMATION; CORRELATION ENERGY; EXCHANGE-CORRELATIONS; GW APPROXIMATION; MANY BODY PERTURBATION THEORY; NONINTERACTING; RANDOM-PHASE APPROXIMATION; SELF-CONSISTENCY;

DISSOCIATION; KINETICS;

DENSITY FUNCTIONAL THEORY;

HYDROGEN;

CHEMICAL MODEL; CHEMISTRY; ELECTRON; THERMODYNAMICS;

ELECTRONS; HYDROGEN; MODELS, CHEMICAL; THERMODYNAMICS;

EID: 84876010169     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.110.146403     Document Type: Article

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