المؤلفون: Cheng Zhang (70708), Pragya Verma (1297149), Jiaxu Wang (87000), Yiwei Liu (1307874), Xiao He (223527), Ying Wang (11406), Donald G. Truhlar (1266384), Zhonghua Liu (148625)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Neuroscience, Physiology, Mental Health, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, widely used method, six widely used, electronic structure calculations, 2003 – 2006, small band gaps, large band gaps, 60 band gaps, experimental lattice constants, 68 lattice constants, performing local functionals, exchange density functionals, database lc68 ), best performance among, band gaps, lattice constants, local functionals, exchange functionals, functionals underestimate, state properties, squared error

Relation: https://figshare.com/articles/journal_contribution/Performance_of_Screened-Exchange_Functionals_for_Band_Gaps_and_Lattice_Constants_of_Crystals/21733173

الاتاحة: https://doi.org/10.1021/acs.jctc.2c00822.s001