Vote for your favorite mineral in #MinCup25! - Stibnite vs. Okenite
It's a battle of dark and light as soft, dramatic stibnite goes up against adorable cottonballs of Okenite.
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

Angeli, C., Cimiraglia, R., Evangelisti, S., Leininger, T., Malrieu, J.-P. (2001) Introduction ofn-electron valence states for multireference perturbation theory. The Journal of Chemical Physics, 114 (23). 10252-10264 doi:10.1063/1.1361246

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleIntroduction ofn-electron valence states for multireference perturbation theory
JournalThe Journal of Chemical Physics
AuthorsAngeli, C.Author
Cimiraglia, R.Author
Evangelisti, S.Author
Leininger, T.Author
Malrieu, J.-P.Author
Year2001 (June 15)Volume114
Issue23
PublisherAIP Publishing
DOIdoi:10.1063/1.1361246Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2261444Long-form Identifiermindat:1:5:2261444:7
GUID0
Full ReferenceAngeli, C., Cimiraglia, R., Evangelisti, S., Leininger, T., Malrieu, J.-P. (2001) Introduction ofn-electron valence states for multireference perturbation theory. The Journal of Chemical Physics, 114 (23). 10252-10264 doi:10.1063/1.1361246
Plain TextAngeli, C., Cimiraglia, R., Evangelisti, S., Leininger, T., Malrieu, J.-P. (2001) Introduction ofn-electron valence states for multireference perturbation theory. The Journal of Chemical Physics, 114 (23). 10252-10264 doi:10.1063/1.1361246
In(2001, June) The Journal of Chemical Physics Vol. 114 (23) AIP Publishing

See Also

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

Pastore, Mariachiara, Helal, Wissam, Evangelisti, Stefano, Leininger, Thierry, Malrieu, Jean-Paul, Maynau, Daniel, Angeli, Celestino, Cimiraglia, Renzo (2008) Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?. The Journal of Chemical Physics, 128 (17). 174102pp. doi:10.1063/1.2911699
Angeli, Celestino, Bories, Benoît, Cavallini, Alex, Cimiraglia, Renzo (2006) Third-order multireference perturbation theory: The n-electron valence state perturbation-theory approach. The Journal of Chemical Physics, 124 (5). 54108pp. doi:10.1063/1.2148946
Pastore, Mariachiara, Helal, Wissam, Angeli, Celestino, Evangelisti, Stefano, Leininger, Thierry, Cimiraglia, Renzo (2009) Application of a “charge-averaged” second order multireference perturbation theory strategy to the study of a model Mixed-Valence compound. Journal of Molecular Structure: THEOCHEM, 896. 12-17 doi:10.1016/j.theochem.2008.10.042
Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul (2001) N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant. Chemical Physics Letters, 350. 297-305 doi:10.1016/s0009-2614(01)01303-3
ANGELI, CELESTINO, CALZADO, CARMEN J., CIMIRAGLIA, RENZO, EVANGELISTI, STEFANO, GUIHÉRY, NATHALIE, LEININGER, THIERRY, MALRIEU, JEAN-PAUL, MAYNAU, DANIEL, RUIZ, JOSÉ VICENTE PITARCH, SPARTA, MANUEL (2003) The use of local orbitals in multireference calculations. Molecular Physics, 101. 1389-1398 doi:10.1080/0026897031000082149
Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul (2002) n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants. The Journal of Chemical Physics, 117 (20). 9138-9153 doi:10.1063/1.1515317
Angeli, Celestino, Calzado, Carmen J., Cimiraglia, Renzo, Malrieu, Jean-Paul (2006) A convenient decontraction procedure of internally contracted state-specific multireference algorithms. The Journal of Chemical Physics, 124 (23). 234109pp. doi:10.1063/1.2202738
Angeli, Celestino, Cavallini, Alex, Cimiraglia, Renzo (2008) An ab initio multireference perturbation theory study on the manganese dimer. The Journal of Chemical Physics, 128 (24). 244317pp. doi:10.1063/1.2949100
Angeli, Celestino, Cavallini, Alex, Cimiraglia, Renzo (2007) Ground states of the Mo2, W2, and CrMo molecules: A second and third order multireference perturbation theory study. The Journal of Chemical Physics, 127 (7). 74306pp. doi:10.1063/1.2768529
Havenith, Remco W. A., Taylor, Peter R., Angeli, Celestino, Cimiraglia, Renzo, Ruud, Kenneth (2004) Calibration of the n-electron valence state perturbation theory approach. The Journal of Chemical Physics, 120 (10). 4619-4625 doi:10.1063/1.1645243
Angeli, Celestino, Borini, Stefano, Cestari, Mirko, Cimiraglia, Renzo (2004) A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach. The Journal of Chemical Physics, 121 (9). 4043-4049 doi:10.1063/1.1778711
 
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 2, 2025 02:04:51
Go to top of page