Open AccessFast, accurate enthalpy differences in spin crossover crystals from DFT+U
Author(s) -
Miriam Ohlrich,
B. J. Powell
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0020706
Subject(s) - density functional theory , spin crossover , enthalpy , chemistry , hybrid functional , standard enthalpy of formation , crossover , spin (aerodynamics) , benchmark (surveying) , thermodynamics , statistical physics , computational chemistry , physics , crystallography , computer science , artificial intelligence , geodesy , geography
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