Vote for your favorite mineral in #MinCup25! - Kosmochlor vs. Azurite
It's a battle of green vs blue as rare but vibrant chromium-bearing kosmochlor up against the deep blue copper alteration mineral azurite.
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

Day, Orville W. (1975) Extension of Koopmans’ theorem. II. Accurate ionization energies from correlated wavefunctions for closed-shell atoms. The Journal of Chemical Physics, 62 (1) 115 doi:10.1063/1.430254

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleExtension of Koopmans’ theorem. II. Accurate ionization energies from correlated wavefunctions for closed-shell atoms
JournalThe Journal of Chemical Physics
AuthorsDay, Orville W.Author
Year1975Volume62
Issue1
PublisherAIP Publishing
DOIdoi:10.1063/1.430254Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2097680Long-form Identifiermindat:1:5:2097680:2
GUID0
Full ReferenceDay, Orville W. (1975) Extension of Koopmans’ theorem. II. Accurate ionization energies from correlated wavefunctions for closed-shell atoms. The Journal of Chemical Physics, 62 (1) 115 doi:10.1063/1.430254
Plain TextDay, Orville W. (1975) Extension of Koopmans’ theorem. II. Accurate ionization energies from correlated wavefunctions for closed-shell atoms. The Journal of Chemical Physics, 62 (1) 115 doi:10.1063/1.430254
In(1975) The Journal of Chemical Physics Vol. 62 (1) AIP Publishing

See Also

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

Ellenbogen, James C., Day, Orville W., Smith, Darwin W., Morrison, Robert C. (1977) Extension of Koopmans’ theorem. IV. Ionization potentials from correlated wavefunctions for molecular fluorine. The Journal of Chemical Physics, 66 (11) 4795-4801 doi:10.1063/1.433842
Smith, Darwin W. (1975) Extension of Koopmans’ theorem. I. Derivation. The Journal of Chemical Physics, 62 (1) 113 doi:10.1063/1.430253
Winslow, George H. (1975) Dispersion energies in systems of two closed shell atoms and/or ions. The Journal of Chemical Physics, 62 (10) 4138-4145 doi:10.1063/1.430292
Bozkaya, Uğur (2013) The extended Koopmans' theorem for orbital-optimized methods: Accurate computation of ionization potentials. The Journal of Chemical Physics, 139 (15). 154105pp. doi:10.1063/1.4825041
McCarthy, Shane P., Thakkar, Ajit J. (2011) Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energies. The Journal of Chemical Physics, 134 (4). 44102pp. doi:10.1063/1.3547262
Ortiz, J. V. (1998) A nondiagonal, renormalized extension of partial third-order quasiparticle theory: Comparisons for closed-shell ionization energies. The Journal of Chemical Physics, 108 (3). 1008-1014 doi:10.1063/1.475463
Doggett, G. (1975) Ionization energies and Koopmans' theorem. Molecular Physics, 29. 313-316 doi:10.1080/00268977500100231
Harris, Robert A. (1975) Density functional theory of interacting closed shell systems. II. The determination of charge densities and the Hellman–Feynman theorem. The Journal of Chemical Physics, 62 (9) 3601 doi:10.1063/1.430954
Eaves, John O. (1975) Born–Oppenheimer type wavefunctions and the virial theorem for H2+ and D2+. The Journal of Chemical Physics, 62 (1) 299 doi:10.1063/1.430225
Morrison, Robert C. (1979) One-particle ionization energies from correlated wavefunctions: Applications to Be. Chemical Physics Letters, 62. 131-134 doi:10.1016/0009-2614(79)80427-3
Teke, Nakul K., Pavošević, Fabijan, Peng, Chong, Valeev, Edward F. (2019) Explicitly correlated renormalized second-order Green’s function for accurate ionization potentials of closed-shell molecules. The Journal of Chemical Physics, 150 (21). 214103pp. doi:10.1063/1.5090983
 
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 9, 2025 12:52:34
Go to top of page