Open AccessTensor-Hypercontracted MP2 First Derivatives: Runtime and Memory Efficient Computation of Hyperfine Coupling Constants
Author(s) -
Felix Bangerter,
Michael Glasbrenner,
Christian Ochsenfeld
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.2c00118
Subject(s) - hyperfine coupling , computation , hyperfine structure , coupling (piping) , computer science , tensor (intrinsic definition) , coupling constant , computational science , physics , computational chemistry , chemistry , atomic physics , materials science , quantum mechanics , algorithm , mathematics , pure mathematics , metallurgy
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