exchange-correlation-functionals

There are 4 repositories under exchange-correlation-functionals topic.

  • xcfun

    dftlibs/xcfun

    XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

    Language:C++58116432

  • LLNL/inq

    This is a mirror. Please check our main website on gitlab.

    Language:C++261045

  • JuliaMolSim/Libxc.jl

    Julia bindings to the libxc library for exchange-correlation functionals

    Language:Julia22565

  • teepanis/siam-quantum

    Siam Quantum: a compact open-source quantum simulation program

    Language:C0102