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

Calaminici, P., Jug, K., Köster, A. M. (1998) Density functional calculations of molecular polarizabilities and hyperpolarizabilities. The Journal of Chemical Physics, 109 (18). 7756-7763 doi:10.1063/1.477421

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleDensity functional calculations of molecular polarizabilities and hyperpolarizabilities
JournalThe Journal of Chemical Physics
AuthorsCalaminici, P.Author
Jug, K.Author
Köster, A. M.Author
Year1998 (November 8)Volume109
Issue18
PublisherAIP Publishing
DOIdoi:10.1063/1.477421Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2240416Long-form Identifiermindat:1:5:2240416:9
GUID0
Full ReferenceCalaminici, P., Jug, K., Köster, A. M. (1998) Density functional calculations of molecular polarizabilities and hyperpolarizabilities. The Journal of Chemical Physics, 109 (18). 7756-7763 doi:10.1063/1.477421
Plain TextCalaminici, P., Jug, K., Köster, A. M. (1998) Density functional calculations of molecular polarizabilities and hyperpolarizabilities. The Journal of Chemical Physics, 109 (18). 7756-7763 doi:10.1063/1.477421
In(1998, November) The Journal of Chemical Physics Vol. 109 (18) AIP Publishing

See Also

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

Calaminici, Patrizia, Jug, Karl, Köster, Andreas M. (1999) Static polarizabilities of Nan (n⩽9) clusters: An all-electron density functional study. The Journal of Chemical Physics, 111 (10). 4613-4620 doi:10.1063/1.479222
DE LUCA, G., RUSSO, N., KÖSTER, A. M., CALAMINICI, P., JUG, K. (1999) Density functional theory calculations of nuclear quadrupole coupling constants with calibrated17O quadrupole moments. Molecular Physics, 97. 347-354 doi:10.1080/00268979909482836
Calaminici, Patrizia, Jug, Karl, Köster, Andreas M., Ingamells, Victoria E., Papadopoulos, Manthos G. (2000) Polarizabilities of azabenzenes. The Journal of Chemical Physics, 112 (14). 6301-6308 doi:10.1063/1.481191
Calaminici, Patrizia, Köster, Andreas M., Vela, Alberto, Jug, Karl (2000) Comparison of static polarizabilities of Cun, Nan, and Lin (n⩽9) clusters. The Journal of Chemical Physics, 113 (6). 2199-2202 doi:10.1063/1.482033
SICILIA, E., DE LUCA, G., CHIODO, S., RUSSO, N., CALAMINICI, P., KOSTER, A. M., JUG, K. (2001) Density functional theory calculations of nuclear quadrupole coupling constants with calibrated14N quadrupole moments. Molecular Physics, 99. 1039-1051 doi:10.1080/00268970110042820
Jug, Karl, Zimmermann, Bernd, Calaminici, Patrizia, Köster, Andreas M. (2002) Structure and stability of small copper clusters. The Journal of Chemical Physics, 116 (11). 4497-4507 doi:10.1063/1.1436465
Calaminici, P., Köster, A. M., Russo, N., Salahub, D. R. (1996) A density functional study of small copper clusters: Cun (n⩽5). The Journal of Chemical Physics, 105 (21). 9546-9556 doi:10.1063/1.472939
Calaminici, Patrizia, Flores-Moreno, Roberto, Köster, Andreas M. (2004) Structures and vibrations of Nb3O and Nb3O−: A density functional study. The Journal of Chemical Physics, 121 (8). 3558-3562 doi:10.1063/1.1775788
Karne, Anagha S., Vaval, Nayana, Pal, Sourav, Vásquez-Pérez, José M., Köster, Andreas M., Calaminici, Patrizia (2015) Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities. Chemical Physics Letters, 635. 168-173 doi:10.1016/j.cplett.2015.06.046
van Gisbergen, S. J. A., Snijders, J. G., Baerends, E. J. (1998) Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules. The Journal of Chemical Physics, 109 (24). 10657-10668 doi:10.1063/1.477763
Calaminici, Patrizia, Köster, Andreas M., Salahub, Dennis R. (2003) Negative ion photoelectron spectra simulation of V3O from a density functional study. The Journal of Chemical Physics, 118 (11). 4913-4919 doi:10.1063/1.1545775
 
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 17:15:07
Go to top of page