Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
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Supplementary material to an article submitted for review, about the MRChem software (https://github.com/MRChemSoft/mrchem), entitled \"The MRChem multiresolution analysis code for molecular electronic calculations structure: performance and scaling properties\"
MRChem is a code for molecular electronic structure calculations, based on a multiwavelet adaptive basis representation. Systems comprising more than a thousand orbitals are investigated at the \acl{HF} level of theory, with an emphasis on scaling properties.
创建时间:
2024-09-25



