Libxc - a library of exchange and correlation functionals - TDDFT.org

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The future More functionals! More derivatives! More codes using it! M. A. L. Marques Libxc
The future More functionals! More derivatives! More codes using it! M. A. L. Marques Libxc
Page 1 and 2: Libxc a library of exchange and cor
Page 3 and 4: Why the need for libxc The xc funct
Page 9 and 10: Kohn-Sham equations The main equati
Page 11 and 12: Jacob’s ladder Local density appr
Page 13 and 14: Jacob’s ladder Local density appr
Page 15 and 16: What do we need - I The energy is u
Page 17 and 18: What do we need - II For response p
Page 19 and 20: Libxc Written in C from scratch Bin
Page 29 and 30: An example in C switch ( x c f a m
Page 31: The info structure typedef s t r u
Page 35: Where to find us! http://www.tddft.

Libxc - a library of exchange and correlation functionals - TDDFT.org

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