A variety of electronic structure methods are implemented in the PySCF package. Many of them can also be used for solid-state calculations with periodic boundary conditions. This User Guide introduces the basic theories of these methods and demonstrates their main functionalities.
.. toctree:: :maxdepth: 1 user/gto.rst user/scf.rst user/dft.rst user/mp.rst user/gw.rst user/ci.rst user/cc.rst user/adc.rst user/agf2.rst user/mcscf.rst user/mrpt.rst user/tddft.rst user/solvent.rst user/qmmm.rst user/md.rst user/df.rst user/pbc.rst user/eph.rst user/lo.rst user/sgx.rst user/geomopt.rst user/reference.rst