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Savin, Andreas, Karwowski, Jacek (2023) Correcting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions. The Journal of Physical Chemistry A, 127 (5) 1377-1385 doi:10.1021/acs.jpca.2c08426

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Reference TypeJournal (article/letter/editorial)
TitleCorrecting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions
JournalThe Journal of Physical Chemistry A
AuthorsSavin, AndreasAuthor
Karwowski, JacekAuthor
Year2023 (February 9)Volume127
Issue5
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.2c08426Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID15708927Long-form Identifiermindat:1:5:15708927:3
GUID0
Full ReferenceSavin, Andreas, Karwowski, Jacek (2023) Correcting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions. The Journal of Physical Chemistry A, 127 (5) 1377-1385 doi:10.1021/acs.jpca.2c08426
Plain TextSavin, Andreas, Karwowski, Jacek (2023) Correcting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions. The Journal of Physical Chemistry A, 127 (5) 1377-1385 doi:10.1021/acs.jpca.2c08426
In(2023, February) The Journal of Physical Chemistry A Vol. 127 (5) American Chemical Society (ACS)

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Scemama, Anthony, Savin, Andreas (2024) Long-Range Configuration Interaction with an Ab Initio Short-Range Correction and an Asymptotic Lower Bound. The Journal of Physical Chemistry A, 128 (30). doi:10.1021/acs.jpca.4c02837
Karwowski, Jacek, Savin, Andreas (2022) Two-particle coalescence conditions revisited. Molecular Physics, 120 (19) doi:10.1080/00268976.2022.2069055
Toulouse, Julien, Colonna, François, Savin, Andreas (2004) Long-range–short-range separation of the electron-electron interaction in density-functional theory. Physical Review A, 70 (6). doi:10.1103/physreva.70.062505
Savin, Andreas, Karwowski, Jacek (2023) Second-order adiabatic connection: The theory and application to two electrons in a parabolic confinement. The Journal of Chemical Physics, 159 (13) doi:10.1063/5.0167851
Anstine, Dylan M., Isayev, Olexandr (2023) Machine Learning Interatomic Potentials and Long-Range Physics. The Journal of Physical Chemistry A, 127 (11) 2417-2431 doi:10.1021/acs.jpca.2c06778
Black, Ellena K. G., Gill, Peter M. W. (2023) Economical Models for Electron Densities. The Journal of Physical Chemistry A, 127 (44) 9346-9356 doi:10.1021/acs.jpca.3c04363
Gori-Giorgi, Paola, Savin, Andreas (2006) Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence. Physical Review A, 73 (3). doi:10.1103/physreva.73.032506
Ángyán, János G., Gerber, Iann C., Savin, Andreas, Toulouse, Julien (2005) van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections. Physical Review A, 72 (1). doi:10.1103/physreva.72.012510
Bigagli, Niccolò, Savin, Daniel W., Will, Sebastian (2023) Laser Scheme for Doppler Cooling of the Hydroxyl Cation (OH+) The Journal of Physical Chemistry A, 127 (39) 8194-8199 doi:10.1021/acs.jpca.3c03248
Koput, Jacek (2023) Ab Initio Potential Energy Surface and Vibration–Rotation Energy Levels of Aluminum Monohydroxide. The Journal of Physical Chemistry A, 127 (41) 8607-8614 doi:10.1021/acs.jpca.3c05635
Lapinski, Leszek, Rostkowska, Hanna, Nowacki, Jacek, Nowak, Maciej J. (2023) Photoinduced Long-Distance Hydrogen-Atom Transfer in Molecules with a 7-Hydroxyquinoline Frame and a Carbaldehyde or Aldoxime Group as the Intramolecular Hydrogen Transporting Crane. The Journal of Physical Chemistry A, 127 (14) 3104-3113 doi:10.1021/acs.jpca.3c00170
 
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