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Matveeva, Regina, Folkestad, Sarai Dery, Høyvik, Ida-Marie (2023) Particle-Breaking Hartree–Fock Theory for Open Molecular Systems. The Journal of Physical Chemistry A, 127 (5) 1329-1341 doi:10.1021/acs.jpca.2c07686

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Reference TypeJournal (article/letter/editorial)
TitleParticle-Breaking Hartree–Fock Theory for Open Molecular Systems
JournalThe Journal of Physical Chemistry A
AuthorsMatveeva, ReginaAuthor
Folkestad, Sarai DeryAuthor
Høyvik, Ida-MarieAuthor
Year2023 (February 9)Volume127
Issue5
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.2c07686Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID15708929Long-form Identifiermindat:1:5:15708929:7
GUID0
Full ReferenceMatveeva, Regina, Folkestad, Sarai Dery, Høyvik, Ida-Marie (2023) Particle-Breaking Hartree–Fock Theory for Open Molecular Systems. The Journal of Physical Chemistry A, 127 (5) 1329-1341 doi:10.1021/acs.jpca.2c07686
Plain TextMatveeva, Regina, Folkestad, Sarai Dery, Høyvik, Ida-Marie (2023) Particle-Breaking Hartree–Fock Theory for Open Molecular Systems. The Journal of Physical Chemistry A, 127 (5) 1329-1341 doi:10.1021/acs.jpca.2c07686
In(2023, February) The Journal of Physical Chemistry A Vol. 127 (5) American Chemical Society (ACS)

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Paul née Matveeva, Regina, Folkestad, Sarai Dery, Sannes, Bendik Støa, Høyvik, Ida-Marie (2024) Particle-Breaking Unrestricted Hartree–Fock Theory for Open Molecular Systems. The Journal of Physical Chemistry A, 128 (8) 1533-1542 doi:10.1021/acs.jpca.3c07231
Pedersen, Jacob; Sannes, Bendik Støa; Paul née Matveeva, Regina; Coriani, Sonia; Høyvik, Ida-Marie (2025) Time-Dependent Particle-Breaking Hartree–Fock Model for Electronically Open Molecules. The Journal of Physical Chemistry A, 129 (19). doi:10.1021/acs.jpca.5c00810
Høyvik, Ida-Marie (2020) Convergence acceleration for the multilevel Hartree–Fock model. Molecular Physics, 118. 1626929pp. doi:10.1080/00268976.2019.1626929
Folkestad, Sarai Dery, Koch, Henrik (2024) Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster Calculations. The Journal of Physical Chemistry A, 128 (44). doi:10.1021/acs.jpca.4c06271
Folkestad, Sarai Dery; Kruken, Kristine Lauvstad; Koch, Henrik (2025) Excitation Energies from the Entanglement Coupled Cluster Model for Doublets. The Journal of Physical Chemistry A, 129 (30). doi:10.1021/acs.jpca.5c01190
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. The Journal of Physical Chemistry A, 127 (7) 1775-1793 doi:10.1021/acs.jpca.2c08181
Høyvik, Ida-Marie, Jørgensen, Poul (2016) Characterization and Generation of Local Occupied and Virtual Hartree–Fock Orbitals. Chemical Reviews, 116 (5) 3306-3327 doi:10.1021/acs.chemrev.5b00492
Folkestad, Sarai Dery, Paul, Alexander C., Ponzi, Aurora, Grazioli, Cesare, Coreno, Marcello, de Simone, Monica, Koch, Henrik, Coriani, Sonia (2023) Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core- and Valence-Level Spectroscopy. The Journal of Physical Chemistry A, 127 (50) 10621-10631 doi:10.1021/acs.jpca.3c06703
Høyvik, Ida-Marie, Jansik, Branislav, Kristensen, Kasper, Jørgensen, Poul (2013) Local Hartree-Fock orbitals using a three-level optimization strategy for the energy. Journal of Computational Chemistry, 34 (15). 1311-1320 doi:10.1002/jcc.23256
Folkestad, Sarai Dery, Sannes, Bendik Støa, Koch, Henrik (2023) Entanglement coupled cluster theory: Exact spin-adaptation. The Journal of Chemical Physics, 158 (22) doi:10.1063/5.0144694
Matveeva, Regina, Falck Erichsen, Merete, Koch, Henrik, Høyvik, Ida‐Marie (2022) The effect of midbond functions on interaction energies computed using MP2 and CCSD (T) Journal of Computational Chemistry, 43 (2) 121-131 doi:10.1002/jcc.26777
 
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