NMR Chemical Shift Computations at Second-Order Møller-Plesset Perturbation Theory Using Gauge-Including Atomic Orbitals and Cholesky-Decomposed Two-Electron Integrals

Fuente: arXiv
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Bibliographic Details
Main Authors: Burger, Sophia, Lipparini, Filippo, Gauss, Jürgen, Stopkowicz, Stella
Format: Preprint
Published: 2021
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