JOSS Papers: Quantum chemistry

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published Published about 2 months ago

QuantNBody: a Python package for quantum chemistry and physics to build and manipulate many-body operators and wave functions.

Python Jupyter Notebook
@SYalouz
10.21105/joss.04759
published Published 8 months ago

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

Fortran
@Evmoerman
10.21105/joss.04040
Displaying all 2 papers

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ISSN 2475-9066