Vote for your favorite mineral in #MinCup25! - Calcite vs. Perovskite
This match of heavy hitters is bound to end in heartbreak as classic calcite faces off against futuristic perovskite.
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

Misquitta, Alston J., Szalewicz, Krzysztof (2005) Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers. The Journal of Chemical Physics, 122 (21). 214109pp. doi:10.1063/1.1924593

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleSymmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers
JournalThe Journal of Chemical Physics
AuthorsMisquitta, Alston J.Author
Szalewicz, KrzysztofAuthor
Year2005 (June)Volume122
Issue21
PublisherAIP Publishing
DOIdoi:10.1063/1.1924593Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2294414Long-form Identifiermindat:1:5:2294414:4
GUID0
Full ReferenceMisquitta, Alston J., Szalewicz, Krzysztof (2005) Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers. The Journal of Chemical Physics, 122 (21). 214109pp. doi:10.1063/1.1924593
Plain TextMisquitta, Alston J., Szalewicz, Krzysztof (2005) Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers. The Journal of Chemical Physics, 122 (21). 214109pp. doi:10.1063/1.1924593
In(2005, June) The Journal of Chemical Physics Vol. 122 (21) AIP Publishing

See Also

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

Misquitta, Alston J., Podeszwa, Rafał, Jeziorski, Bogumił, Szalewicz, Krzysztof (2005) Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations. The Journal of Chemical Physics, 123 (21). 214103pp. doi:10.1063/1.2135288
Misquitta, Alston J., Szalewicz, Krzysztof (2002) Intermolecular forces from asymptotically corrected density functional description of monomers. Chemical Physics Letters, 357. 301-306 doi:10.1016/s0009-2614(02)00533-x
Misquitta, Alston J., Jeziorski, Bogumil, Szalewicz, Krzysztof (2003) Dispersion Energy from Density-Functional Theory Description of Monomers. Physical Review Letters, 91 (3). doi:10.1103/physrevlett.91.033201
Bukowski, Robert, Szalewicz, Krzysztof, Groenenboom, Gerrit, van der Avoird, Ad (2006) Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers. The Journal of Chemical Physics, 125 (4). 44301pp. doi:10.1063/1.2220040
Żuchowski, Piotr S., Podeszwa, Rafał, Moszyński, Robert, Jeziorski, Bogumił, Szalewicz, Krzysztof (2008) Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes. The Journal of Chemical Physics, 129 (8). 84101pp. doi:10.1063/1.2968556
Podeszwa, Rafał, Szalewicz, Krzysztof (2007) Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers. The Journal of Chemical Physics, 126 (19). 194101pp. doi:10.1063/1.2733648
Heßelmann, A., Jansen, G., Schütz, M. (2005) Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies. The Journal of Chemical Physics, 122 (1). 14103pp. doi:10.1063/1.1824898
Lotrich, Victor F., Szalewicz, Krzysztof (1997) Symmetry-adapted perturbation theory of three-body nonadditivity of intermolecular interaction energy. The Journal of Chemical Physics, 106 (23). 9668-9687 doi:10.1063/1.473831
Murdachaew, Garold, Misquitta, Alston J., Bukowski, Robert, Szalewicz, Krzysztof (2001) Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations. The Journal of Chemical Physics, 114 (2). 764pp. doi:10.1063/1.1331101
Rybak, Stanisl/aw, Jeziorski, Bogumil/, Szalewicz, Krzysztof (1991) Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers. The Journal of Chemical Physics, 95 (9). 6576-6601 doi:10.1063/1.461528
Stone, Anthony J., Misquitta, Alston J. (2009) Charge-transfer in Symmetry-Adapted Perturbation Theory. Chemical Physics Letters, 473. 201-205 doi:10.1016/j.cplett.2009.03.073
 
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 4, 2025 20:36:01
Go to top of page