Fermi.jl: A Modern Design for Quantum Chemistry.
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DOI: 10.1021/acs.jctc.1c00719
Abstract: Approximating molecular wave functions involves heavy numerical effort; therefore, codes for such tasks are written completely or partially in efficient languages such as C, C++, and Fortran. While these tools are dominant throughout quantum chemistry… read more here.
Keywords: fermi modern; design; chemistry; quantum chemistry ... See more keywords