An Efficient Coupled-Perturbed Kohn–Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic Orbitals

Title
An Efficient Coupled-Perturbed Kohn–Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic Orbitals
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 16, Issue 2, Pages 931-943
Publisher
American Chemical Society (ACS)
Online
2020-01-04
DOI
10.1021/acs.jctc.9b00944

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