Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals
We present an implementation of the canonical and Laplace-transformed formulation of the second-order Møller–Plesset perturbation theory under periodic boundary conditions using numerical atomic orbitals. To validate our approach, we show that our results of the Laplace-transformed MP2 correlation c...
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| Glavni autori: | , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Frontiers Media S.A.
2020-11-01
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| Serija: | Frontiers in Chemistry |
| Teme: | |
| Online pristup: | https://www.frontiersin.org/articles/10.3389/fchem.2020.589992/full |
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