Vote for your favorite mineral in #MinCup25! - Baryte vs. Hematite
It's a heavyweight match between industrial powerhouses as soft #baryte competes against rusty red #hematite.
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

Chen, Ming, Baer, Roi, Rabani, Eran (2023) Structure optimization with stochastic density functional theory. The Journal of Chemical Physics, 158 (2) 24111 doi:10.1063/5.0126169

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleStructure optimization with stochastic density functional theory
JournalThe Journal of Chemical Physics
AuthorsChen, MingAuthor
Baer, RoiAuthor
Rabani, EranAuthor
Year2023 (January 14)Volume158
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/5.0126169Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID15668401Long-form Identifiermindat:1:5:15668401:1
GUID0
Full ReferenceChen, Ming, Baer, Roi, Rabani, Eran (2023) Structure optimization with stochastic density functional theory. The Journal of Chemical Physics, 158 (2) 24111 doi:10.1063/5.0126169
Plain TextChen, Ming, Baer, Roi, Rabani, Eran (2023) Structure optimization with stochastic density functional theory. The Journal of Chemical Physics, 158 (2) 24111 doi:10.1063/5.0126169
In(2023, January) The Journal of Chemical Physics Vol. 158 (2) AIP Publishing

See Also

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

Chen, Ming, Baer, Roi, Neuhauser, Daniel, Rabani, Eran (2019) Energy window stochastic density functional theory. The Journal of Chemical Physics, 151 (11). 114116pp. doi:10.1063/1.5114984
Chen, Ming, Baer, Roi, Neuhauser, Daniel, Rabani, Eran (2019) Overlapped embedded fragment stochastic density functional theory for covalently-bonded materials. The Journal of Chemical Physics, 150 (3). 34106pp. doi:10.1063/1.5064472
Chen, Ming, Baer, Roi, Neuhauser, Daniel, Rabani, Eran (2021) Stochastic density functional theory: Real- and energy-space fragmentation for noise reduction. The Journal of Chemical Physics, 154 (20) 204108pp. doi:10.1063/5.0044163
Neuhauser, Daniel, Baer, Roi, Rabani, Eran (2014) Communication: Embedded fragment stochastic density functional theory. The Journal of Chemical Physics, 141 (4). 41102pp. doi:10.1063/1.4890651
Gao, Yi, Neuhauser, Daniel, Baer, Roi, Rabani, Eran (2015) Sublinear scaling for time-dependent stochastic density functional theory. The Journal of Chemical Physics, 142 (3). 34106pp. doi:10.1063/1.4905568
Nguyen, Minh, Li, Wenfei, Li, Yangtao, Rabani, Eran, Baer, Roi, Neuhauser, Daniel (2021) Tempering stochastic density functional theory. The Journal of Chemical Physics, 155 (20) 204105pp. doi:10.1063/5.0063266
Arnon, Eitam, Rabani, Eran, Neuhauser, Daniel, Baer, Roi (2017) Equilibrium configurations of large nanostructures using the embedded saturated-fragments stochastic density functional theory. The Journal of Chemical Physics, 146 (22). 224111pp. doi:10.1063/1.4984931
Li, Wenfei, Chen, Ming, Rabani, Eran, Baer, Roi, Neuhauser, Daniel (2019) Stochastic embedding DFT: Theory and application to p-nitroaniline in water. The Journal of Chemical Physics, 151 (17). 174115pp. doi:10.1063/1.5110226
Baer, Roi, Neuhauser, Daniel, Rabani, Eran (2013) Self-Averaging Stochastic Kohn-Sham Density-Functional Theory. Physical Review Letters, 111 (10). doi:10.1103/physrevlett.111.106402
Cytter, Yael, Rabani, Eran, Neuhauser, Daniel, Baer, Roi (2018) Stochastic density functional theory at finite temperatures. Physical Review B, 97 (11) doi:10.1103/physrevb.97.115207
Lee, Alex J., Chen, Ming, Li, Wenfei, Neuhauser, Daniel, Baer, Roi, Rabani, Eran (2020) Dopant levels in large nanocrystals using stochastic optimally tuned range-separated hybrid density functional theory. Physical Review B, 102 (3) doi:10.1103/physrevb.102.035112
 
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 Β© 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 19, 2025 10:57:54
Go to top of page