PyBEST: Improved functionality and enhanced performance.
,
,
,
,
,
,
,
,
,
,
,
,
,
Comput. Phys. Commun., 2024
Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics.
Comput. Phys. Commun., 2021