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Get Free AccessThis deposist contains xyz files and input and output files as supporting data for “Analytic Gradients for Compressed Multistate Pair-Density Functional Theory,” by J. J. Bao, M. R. Hermes, T. R. Scott, A. M. Sand, R. Lindh, L. Gagliardi, and D. G. Truhlar, to be published in a special Issue of Molecular Physics dedicated to the memory of Lutosław Wolniewicz.
Jie J. Bao, Matthew R. Hermes, Thais R. Scott, Andrew M. Sand, Roland Lindh, Laura Gagliardi, Donald G Truhlargeometries and output files for CMS-PDFT gradient paper. , DOI: https://doi.org/10.5281/zenodo.7020288.
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Authors
7
Datasets
0
Total Files
0
Language
en
DOI
https://doi.org/10.5281/zenodo.7020288
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