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On January 3, 2025 at 12:12:04 AM UTC, admin:
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Changed value of field
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toTrue
in Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties -
Changed value of field
doi_date_published
to2025-01-03
in Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties -
Added resource Original Metadata to Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties
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50 | "notes": "A family of structural descriptors that generalize the | 50 | "notes": "A family of structural descriptors that generalize the | ||
51 | very successful atom-centered density correlation features to the | 51 | very successful atom-centered density correlation features to the | ||
52 | N-centers case, and show in particular how this construction can be | 52 | N-centers case, and show in particular how this construction can be | ||
53 | applied to efficiently learn the matrix elements of the (effective) | 53 | applied to efficiently learn the matrix elements of the (effective) | ||
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