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DFG-Priority-Program SPP 1145:


Modern and Universal First Priniciples Methods for Many-Electron systems in Chemistry and Physics [1]



Lupe [2]
Lupe [3]

Local hybrid functionals without gradient correction in the DFT part yield remarkable results for thermochemistry and reaction barriers. Local mixing functions based on the density gradient and the kinetic energy density are considered.


DFG-Priority-Programs

  • SPP 1137 [4]
  • SPP 1145 [5]
  • SPP 1178 [6]
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