Open AccessAssessment of the performance of tuned range-separated hybrid density functionals in predicting accurate quasiparticle spectra
Author(s) -
Thomas Körzdörfer,
Robert M. Parrish,
Noa Marom,
John S. Sears,
C. David Sherrill,
JeanLuc Brédas
Publication year - 2012
Publication title -
physical review. b, condensed matter and materials physics
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.86.205110
Subject(s) - quasiparticle , hybrid functional , range (aeronautics) , spectral line , atomic orbital , valence (chemistry) , ionization , physics , ionization energy , eigenvalues and eigenvectors , atomic physics , computation , materials science , molecular physics , density functional theory , computational physics , quantum mechanics , algorithm , computer science , ion , superconductivity , composite material , electron