Assessment of the convergence of partially self-consistent BSE/ GW calculations

Molecular Physics

Volumn 114, Issue 7-8, 2016, Pages 957-967

  Jacquemin, Denis ^a,b   Duchemin, Ivan ^c   Blase, Xavier ^c,d  

^a UNIVERSITÉ DE NANTES   (France)

^b INSTITUT UNIVERSITAIRE DE FRANCE   (France)

^c UNIV GRENOBLE ALPES   (France)

^d CNRS   (France)

Author keywords

Atomic basis sets; BSE GW; Excited states; Optical spectra; Self consistency

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; EXCITED STATES;

ATOMIC BASIS SET; BSE/GW; COMPUTATIONALLY EFFICIENT; ELECTRONICALLY EXCITED STATE; OPTICAL SPECTRA; QUASIPARTICLE ENERGY; SELF-CONSISTENCY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84949771664     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2015.1119901     Document Type: Article

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