Vote for your favorite mineral in #MinCup25! - Carpathite vs. Leucite
Brace for oddness in a match between one of the very few hydrocarbon minerals carpathite and the temperature-flipping mineral leucite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

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

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleA new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies
JournalThe Journal of Chemical Physics
AuthorsOpoku, ErnestAuthor
Pawłowski, FilipAuthor
Ortiz, J. V.Author
Year2023 (September 28)Volume159
Issue12
PublisherAIP Publishing
DOIdoi:10.1063/5.0168779Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16865809Long-form Identifiermindat:1:5:16865809:3
GUID0
Full ReferenceOpoku, 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
Plain TextOpoku, 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
In(2023, September) The Journal of Chemical Physics Vol. 159 (12) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

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
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) 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. (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. (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. (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
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, Joseph Vincent (2021) Electron binding energies and Dyson orbitals of OnH2n+1+,0,− clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations. The Journal of Chemical Physics, 154 (23) 234304pp. doi:10.1063/5.0053297
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
Ortiz, J. V. (1995) Calculation and interpretation of total energies in electron propagator theory. The Journal of Chemical Physics, 103 (13). 5630-5639 doi:10.1063/1.470545
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 6, 2025 15:12:30
Go to top of page