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Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2023) Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides. The Journal of Physical Chemistry A, 127 (4) 1085-1101 doi:10.1021/acs.jpca.2c08372

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Reference TypeJournal (article/letter/editorial)
TitleElectron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides
JournalThe Journal of Physical Chemistry A
AuthorsOpoku, ErnestAuthor
Pawłowski, FilipAuthor
Ortiz, J. V.Author
Year2023 (February 2)Volume127
Issue4
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.2c08372Search in ResearchGate
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Mindat Ref. ID15691358Long-form Identifiermindat:1:5:15691358:6
GUID0
Full ReferenceOpoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2023) Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides. The Journal of Physical Chemistry A, 127 (4) 1085-1101 doi:10.1021/acs.jpca.2c08372
Plain TextOpoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2023) Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides. The Journal of Physical Chemistry A, 127 (4) 1085-1101 doi:10.1021/acs.jpca.2c08372
In(2023, February) The Journal of Physical Chemistry A Vol. 127 (4) American Chemical Society (ACS)

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Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2024) New-generation electron-propagator methods for vertical electron detachment energies of molecular anions: benchmarks and applications to model green-fluorescent-protein chromophores. Physical Chemistry Chemical Physics, 26 (13) 9915-9930 doi:10.1039/d4cp00441h
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2024) New-Generation Electron-Propagator Methods for Molecular Electron-Binding Energies. The Journal of Physical Chemistry A, 128 (8) 1399-1416 doi:10.1021/acs.jpca.3c08455
Opoku, Ernest; Pawłowski, Filip; Ortiz, J. V. (2025) Simplified Ring and Ladder Renormalizations in Electron-Propagator Calculations of Molecular Ionization Energies. The Journal of Physical Chemistry A, 129 (15). doi:10.1021/acs.jpca.5c01079
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2024) Electron Binding Energies of Open-Shell Species from Diagonal Electron-Propagator Self-Energies with Unrestricted Hartree–Fock Spin–Orbitals. The Journal of Physical Chemistry A, 128 (34). doi:10.1021/acs.jpca.4c04318
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2025) Electron-propagator methods versus experimental ionization energies. The Journal of Chemical Physics, 162 (6). doi:10.1063/5.0250732
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2024) Ab Initio Electron Propagators with an Hermitian, Intermediately Normalized Superoperator Metric Applied to Vertical Electron Affinities. The Journal of Physical Chemistry A, 128 (23) 4730-4749 doi:10.1021/acs.jpca.4c02050
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2023) A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies. The Journal of Chemical Physics, 159 (12) doi:10.1063/5.0168779
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2021) A new generation of diagonal self-energies for the calculation of electron removal energies. The Journal of Chemical Physics, 155 (20) 204107pp. doi:10.1063/5.0070849
Opoku, Ernest, Pawłowski, Filip, Ortiz, J. V. (2023) Erratum: “A new generation of diagonal self-energies for the calculation of electron removal energies” [J. Chem. Phys 155, 204107 (2021)]. The Journal of Chemical Physics, 159 (6) AIP Publishing. doi:10.1063/5.0167154
Pawłowski, Filip, Ortiz, Joseph Vincent (2020) Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations. Molecular Physics, 118 (14) doi:10.1080/00268976.2019.1700314
Pawłowski, Filip, Ortiz, Joseph Vincent (2021) Ionization Energies and Dyson Orbitals of the Iso-electronic SO2, O3, and S3 Molecules from Electron Propagator Calculations. The Journal of Physical Chemistry A, 125 (17) 3664-3680 doi:10.1021/acs.jpca.1c01759
 
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