Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1999 1
2002 2
2004 11
2005 10
2006 5
2007 9
2008 9
2009 5
2010 2
2011 3
2012 3
2013 8
2014 7
2015 7
2016 3
2017 2
2018 4
2019 3
2020 9
2021 4
2022 5
2023 4
2024 2

Text availability

Article attribute

Article type

Publication date

Search Results

113 results

Results by year

Filters applied: . Clear all
Page 1
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, Crawford TD, De Proft F, Dobson JF, Draxl C, Frauenheim T, Fromager E, Fuentealba P, Gagliardi L, Galli G, Gao J, Geerlings P, Gidopoulos N, Gill PMW, Gori-Giorgi P, Görling A, Gould T, Grimme S, Gritsenko O, Jensen HJA, Johnson ER, Jones RO, Kaupp M, Köster AM, Kronik L, Krylov AI, Kvaal S, Laestadius A, Levy M, Lewin M, Liu S, Loos PF, Maitra NT, Neese F, Perdew JP, Pernal K, Pernot P, Piecuch P, Rebolini E, Reining L, Romaniello P, Ruzsinszky A, Salahub DR, Scheffler M, Schwerdtfeger P, Staroverov VN, Sun J, Tellgren E, Tozer DJ, Trickey SB, Ullrich CA, Vela A, Vignale G, Wesolowski TA, Xu X, Yang W. Teale AM, et al. Among authors: helgaker t. Phys Chem Chem Phys. 2022 Dec 7;24(47):28700-28781. doi: 10.1039/d2cp02827a. Phys Chem Chem Phys. 2022. PMID: 36269074 Free PMC article. Review.
Mechanochemistry: the effect of dynamics.
Smalø HS, Rybkin VV, Klopper W, Helgaker T, Uggerud E. Smalø HS, et al. Among authors: helgaker t. J Phys Chem A. 2014 Sep 11;118(36):7683-94. doi: 10.1021/jp504959z. Epub 2014 Aug 26. J Phys Chem A. 2014. PMID: 25105205
Strong correlation in density functional theory: general discussion.
Fromager E, Gidopoulos N, Gori-Giorgi P, Helgaker T, Loos PF, Malcomson T, Pernal K, Savin A, Truhlar DG, Wibowo M, Yang W. Fromager E, et al. Among authors: helgaker t. Faraday Discuss. 2020 Dec 4;224(0):373-381. doi: 10.1039/D0FD90025G. Faraday Discuss. 2020. PMID: 33241821 No abstract available.
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems.
Olsen JMH, Reine S, Vahtras O, Kjellgren E, Reinholdt P, Hjorth Dundas KO, Li X, Cukras J, Ringholm M, Hedegård ED, Di Remigio R, List NH, Faber R, Cabral Tenorio BN, Bast R, Pedersen TB, Rinkevicius Z, Sauer SPA, Mikkelsen KV, Kongsted J, Coriani S, Ruud K, Helgaker T, Jensen HJA, Norman P. Olsen JMH, et al. Among authors: helgaker t. J Chem Phys. 2020 Jun 7;152(21):214115. doi: 10.1063/1.5144298. J Chem Phys. 2020. PMID: 32505165
113 results