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

Text availability

Article attribute

Article type

Publication date

Search Results

55 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionals.
Casanova-Páez M, Goerigk L. Casanova-Páez M, et al. Among authors: goerigk l. J Chem Phys. 2020 Aug 14;153(6):064106. doi: 10.1063/5.0018354. J Chem Phys. 2020. PMID: 35287444
We continue our work on the long-range corrected double-hybrid density functionals (LC-DHDFs) omegaB2PLYP and omegaB2GP-PLYP that we developed in the context of time-dependent (TD) Density Functional Theory (DFT) to enable the robust description of singlet-singlet excitations [M. …
We continue our work on the long-range corrected double-hybrid density functionals (LC-DHDFs) omegaB2PLYP and omegaB2GP-PLYP that we develop …
55 results