Audun Skau Hansen

• Hansen, Audun Skau; Aurbakken, Einar & Pedersen, Thomas Bondo (2021). Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems. Molecular Physics. ISSN 0026-8976. 119(9). doi: 10.1080/00268976.2021.1896046. Fulltekst i vitenarkiv Vis sammendrag

  Local approximations facilitate the application of post-Hartree–Fock methods in the condensed phase, but simultaneously introduce errors leading to discontinuous potential-energy surfaces. In this work, we explore how these discontinuities arise in periodic systems, their implications, and possible ways of controlling them. In addition, we present a fully periodic Divide-Expand-Consolidate second-order Møller–Plesset approach using an attenuated resolution-of-the-identity approximation for the electron repulsion integrals and a convenient class to handle translation-symmetric tensors in block-Toeplitz format.

• Hansen, Audun Skau; Baardsen, Gustav; Rebolini, Elisa; Maschio, Lorenzo & Pedersen, Thomas Bondo (2020). Representation of the virtual space in extended systems – a correlation energy convergence study. Molecular Physics. ISSN 0026-8976. doi: 10.1080/00268976.2020.1733118. Fulltekst i vitenarkiv
• Rebolini, Elisa; Baardsen, Gustav; Hansen, Audun Skau; Leikanger, Karl Roald & Pedersen, Thomas Bondo (2018). Divide-Expand-Consolidate Second-Order Møller-Plesset Theory with Periodic Boundary Conditions. Journal of Chemical Theory and Computation. ISSN 1549-9618. 14(5), s. 2427–2438. doi: 10.1021/acs.jctc.8b00021. Fulltekst i vitenarkiv

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• Haraldsrud, Andreas & Hansen, Audun Skau (2021). Exploring chemistry with programming and numerical experiments.
• Baardsen, Gustav; Rebolini, Elisa; Hansen, Audun Skau; Maschio, Lorenzo; Leikanger, Karl Roald & Pedersen, Thomas Bondo (2018). The divide-expand-consolidate method for extended systems.
• Hansen, Audun Skau; Baardsen, Gustav; Maschio, Lorenzo & Pedersen, Thomas Bondo (2018). Locality and sparsity in local correlation calculations.
• Rebolini, Elisa; Baardsen, Gustav; Hansen, Audun Skau; Leikanger, Karl Roald & Pedersen, Thomas Bondo (2018). Error-controlled MP2 for periodic molecular systems.
• Hansen, Audun Skau (2017). Stochastic optimization of block-Toeplitz matrices.
• Hansen, Audun Skau (2017). Stochastic optimization of block Toeplitz matrices.
• Rebolini, Elisa; Baardsen, Gustav; Hansen, Audun Skau; Leikanger, Karl Roald & Pedersen, Thomas Bondo (2017). Local coupled cluster methods for periodic systems.
• Leikanger, Karl R.; Rebolini, Elisa; Hansen, Audun Skau; Baardsen, Gustav & Pedersen, Thomas Bondo (2016). Hartree-Fock calculations using a priori Wannier orbitals for solids.
• Hansen, Audun Skau; Pedersen, Thomas Bondo; Helgaker, Trygve & Kvaal, Simen (2021). Local correlation methods for infinite systems. Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet. ISSN 1501-7710. 2021(2380). Fulltekst i vitenarkiv

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