Vote for your favorite mineral in #MinCup25! - Paddlewheelite vs. Mannardite
It's a battle of the tiny as bright green #paddlewheelite goes up against jet black #mannardite. Both are small yet mighty minerals, but only one can win!
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

Tehrani, Alireza, Anderson, James S. M., Chakraborty, Debajit, Rodriguez‐Hernandez, Juan I., Thompson, David C., Verstraelen, Toon, Ayers, Paul W., Heidar‐Zadeh, Farnaz (2023) An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions. Journal of Computational Chemistry, 44 (25) Wiley. 1998-2015 doi:10.1002/jcc.27170

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAn information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions
JournalJournal of Computational Chemistry
AuthorsTehrani, AlirezaAuthor
Anderson, James S. M.Author
Chakraborty, DebajitAuthor
Rodriguez‐Hernandez, Juan I.Author
Thompson, David C.Author
Verstraelen, ToonAuthor
Ayers, Paul W.Author
Heidar‐Zadeh, FarnazAuthor
Year2023 (September 30)Volume44
Issue25
PublisherWiley
DOIdoi:10.1002/jcc.27170Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16642261Long-form Identifiermindat:1:5:16642261:0
GUID0
Full ReferenceTehrani, Alireza, Anderson, James S. M., Chakraborty, Debajit, Rodriguez‐Hernandez, Juan I., Thompson, David C., Verstraelen, Toon, Ayers, Paul W., Heidar‐Zadeh, Farnaz (2023) An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions. Journal of Computational Chemistry, 44 (25) Wiley. 1998-2015 doi:10.1002/jcc.27170
Plain TextTehrani, Alireza, Anderson, James S. M., Chakraborty, Debajit, Rodriguez‐Hernandez, Juan I., Thompson, David C., Verstraelen, Toon, Ayers, Paul W., Heidar‐Zadeh, Farnaz (2023) An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions. Journal of Computational Chemistry, 44 (25) Wiley. 1998-2015 doi:10.1002/jcc.27170
In(2023, September) Journal of Computational Chemistry Vol. 44 (25) Wiley

See Also

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

Kim, Taewon D., Richer, M., Sánchez‐Díaz, Gabriela, Miranda‐Quintana, Ramón Alain, Verstraelen, Toon, Heidar‐Zadeh, Farnaz, Ayers, Paul W. (2023) Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry. Journal of Computational Chemistry, 44 (5) 697-709 doi:10.1002/jcc.27034
Heidar-Zadeh, Farnaz, Ayers, Paul W., Verstraelen, Toon, Vinogradov, Ivan, Vöhringer-Martinez, Esteban, Bultinck, Patrick (2018) Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes. The Journal of Physical Chemistry A, 122 (17). 4219-4245 doi:10.1021/acs.jpca.7b08966
Chan, Matthew, Verstraelen, Toon, Tehrani, Alireza, Richer, Michelle, Yang, Xiaotian Derrick, Kim, Taewon David, Vöhringer-Martinez, Esteban, Heidar-Zadeh, Farnaz, Ayers, Paul W. (2024) The tale of HORTON: Lessons learned in a decade of scientific software development. The Journal of Chemical Physics, 160 (16) doi:10.1063/5.0196638
Kim, Taewon David, Pujal, Leila, Richer, Michelle, van Zyl, Maximilian, Martínez-González, Marco, Tehrani, Alireza, Chuiko, Valerii, Sánchez-Díaz, Gabriela, Sanchez, Wesley, Adams, William, Huang, Xiaomin, Kelly, Braden D., Vöhringer-Martinez, Esteban, Verstraelen, Toon, Heidar-Zadeh, Farnaz, Ayers, Paul W. (2024) GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions. The Journal of Chemical Physics, 161 (4) doi:10.1063/5.0216776
Verstraelen, Toon, Adams, William, Pujal, Leila, Tehrani, Alireza, Kelly, Braden D., Macaya, Luis, Meng, Fanwang, Richer, Michael, Hernández‐Esparza, Raymundo, Yang, Xiaotian Derrick, Chan, Matthew, Kim, Taewon David, Cools‐Ceuppens, Maarten, Chuiko, Valerii, Vöhringer‐Martinez, Esteban, Ayers, Paul W., Heidar‐Zadeh, Farnaz (2021) IOData : A python library for reading, writing, and converting computational chemistry file formats and generating input files. Journal of Computational Chemistry, 42 (6) 458-464 doi:10.1002/jcc.26468
Fias, Stijn, Heidar-Zadeh, Farnaz, Anderson, James S. M., Ayers, Paul W., Parr, Robert G. (2018) A reference-free stockholder partitioning method based on the force on electrons. Journal of Computational Chemistry, 39 (17). 1044-1050 doi:10.1002/jcc.25114
Tehrani, Alireza, Yang, Xiaotian Derrick, Martínez-González, Marco, Pujal, Leila, Hernández-Esparza, Raymundo, Chan, Matthew, Vöhringer-Martinez, Esteban, Verstraelen, Toon, Ayers, Paul W., Heidar-Zadeh, Farnaz (2024) Grid: A Python library for molecular integration, interpolation, differentiation, and more. The Journal of Chemical Physics, 160 (17) doi:10.1063/5.0202240
Pujal, Leila, van Zyl, Maximilian, Vöhringer-Martinez, Esteban, Verstraelen, Toon, Bultinck, Patrick, Ayers, Paul W., Heidar-Zadeh, Farnaz (2022) Constrained iterative Hirshfeld charges: A variational approach. The Journal of Chemical Physics, 156 (19) 194109 doi:10.1063/5.0089466
Levy, Mel, Anderson, James S. M., Zadeh, Farnaz Heidar, Ayers, Paul W. (2014) Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number. The Journal of Chemical Physics, 140 (18). 18pp. doi:10.1063/1.4871734
Ayers, Paul W., Fias, Stijn, Heidar-Zadeh, Farnaz (2018) The axiomatic approach to chemical concepts. Computational and Theoretical Chemistry, 1142. 83-87 doi:10.1016/j.comptc.2018.09.006
Anderson, James S.M., Heidar-Zadeh, Farnaz, Ayers, Paul W. (2018) Breaking the curse of dimension for the electronic Schrödinger equation with functional analysis. Computational and Theoretical Chemistry, 1142. 66-77 doi:10.1016/j.comptc.2018.08.017
 
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 16, 2025 15:36:40
Go to top of page