2024

• Folkestad, Sarai Dery; Paul, Alexander Christian; Paul, Regina; Coriani, Sonia; Odelius, Michael; Iannuzzi, Marcella. (2024) Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory. Nature Communications
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Paul, Alexander Christian; Paul, Regina; Reinholdt, Peter; Coriani, Sonia; Odelius, Michael. (2024) Quantum Mechanical Versus Molecular Mechanical Embedding Schemes: A Study of the X-ray Absorption Spectra of Aqueous Ammonia and Ammonium. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel
• Dey, Sourav; Folkestad, Sarai Dery; Paul, Alexander Christian; Koch, Henrik; Krylov, Anna I.. (2024) Core-ionization spectrum of liquid water. Physical Chemistry, Chemical Physics - PCCP
  Vitenskapelig artikkel
• Paul, Regina; Folkestad, Sarai Dery; Sannes, Bendik Støa; Høyvik, Ida-Marie. (2024) Particle-Breaking Unrestricted Hartree-Fock Theory for Open Molecular Systems. Journal of Physical Chemistry A
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Koch, Henrik. (2024) Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster Calculations. Journal of Physical Chemistry A
  Vitenskapelig artikkel

2023

• Folkestad, Sarai Dery; Sannes, Bendik Støa; Koch, Henrik. (2023) Entanglement coupled cluster theory: Exact spin-adaptation. Journal of Chemical Physics
  Vitenskapelig artikkel
• Schnack-Petersen, Anna Kristina; Moitra, Torsha; Folkestad, Sarai Dery; Coriani, Sonia. (2023) New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering. Journal of Physical Chemistry A
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Paul, Alexander Christian; Ponzi, Aurora; Grazioli, Cesare; Coreno, Marcello; de Simone, Monica. (2023) Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core- and Valence-Level Spectroscopy. Journal of Physical Chemistry A
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Koch, Henrik. (2023) Triplet Excited States with Multilevel Coupled Cluster Theory. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel
• Matveeva, Regina; Folkestad, Sarai Dery; Høyvik, Ida-Marie. (2023) Particle-breaking Hartree-Fock Theory for open molecular systems. Journal of Physical Chemistry A
  Fagartikkel

2022

• Matveeva, Regina; Folkestad, Sarai Dery; Høyvik, Ida-Marie. (2022) Particle-Breaking Hartree-Fock Theory for Open Molecular Systems. Journal of Physical Chemistry A
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Matveeva, Regina; Høyvik, Ida-Marie; Koch, Henrik. (2022) Implementation of Occupied and Virtual Edmiston-Ruedenberg Orbitals Using Cholesky Decomposed Integrals. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel
• Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Koch, Henrik. (2022) Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel

2021

• Goletto, Linda; Kjønstad, Eirik Fadum; Folkestad, Sarai D.; Høyvik, Ida-Marie; Koch, Henrik. (2021) Linear-Scaling Implementation of Multilevel Hartree-Fock Theory. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel
• Goletto, Linda; Giovannini, Tommaso; Folkestad, Sarai Dery; Koch, Henrik. (2021) Combining multilevel Hartree–Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions. Physical Chemistry, Chemical Physics - PCCP
  Vitenskapelig artikkel
• Hohenstein, Edward G; Yu, Jimmy; Bannwarth, Christoph; Holmgaard List, Nanna; Paul, Alexander Christian; Folkestad, Sarai Dery. (2021) Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel
• Wolf, Thomas J. A.; Paul, Alexander Christian; Folkestad, Sarai Dery; Myhre, Rolf Heilemann; Cryan, James P.; Berrah, Nora. (2021) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine . Faraday discussions
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Goletto, Linda; Koch, Henrik. (2021) Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel

2020

• Kjønstad, Eirik Fadum; Folkestad, Sarai Dery; Koch, Henrik. (2020) Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations. Journal of Chemical Physics
  Vitenskapelig artikkel
• Koch, Henrik; Andersen, Josefine; Balbi, Alice; Coriani, Sonia; Folkestad, Sarai Dery; Giovannini, Tommaso. (2020) eT - an electronic structure program.
  Programvare
• Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Myhre, Rolf Heilemann; Andersen, Josefine; Balbi, Alice; Coriani, Sonia. (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Koch, Henrik. (2020) Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel

2019

• Folkestad, Sarai Dery; Kjønstad, Eirik Fadum; Koch, Henrik. (2019) An efficient algorithm for Cholesky decomposition of electron repulsion integrals. Journal of Chemical Physics
  Vitenskapelig artikkel
• Folkestad, Sarai Dery; Koch, Henrik. (2019) Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbital. Journal of Chemical Theory and Computation
  Vitenskapelig artikkel

2016

• Folkestad, Sarai Dery; Høyvik, Ida-Marie. (2016) Coupled Cluster for High-Spin Open-Shell Systems. NTNU-IKJ
  Mastergradsoppgave