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

36 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
A simple and efficient CCSD(T)-F12 approximation.
Adler TB, Knizia G, Werner HJ. Adler TB, et al. Among authors: knizia g. J Chem Phys. 2007 Dec 14;127(22):221106. doi: 10.1063/1.2817618. J Chem Phys. 2007. PMID: 18081383
Simplified CCSD(T)-F12 methods: theory and benchmarks.
Knizia G, Adler TB, Werner HJ. Knizia G, et al. J Chem Phys. 2009 Feb 7;130(5):054104. doi: 10.1063/1.3054300. J Chem Phys. 2009. PMID: 19206955
The simple and efficient CCSD(T)-F12x approximations (x = a,b) we proposed in a recent communication [T. B. Adler, G. Knizia, and H.-J. Werner, J. Chem. Phys. 127, 221106 (2007)] are explained in more detail and extended to open-shell systems. ...
The simple and efficient CCSD(T)-F12x approximations (x = a,b) we proposed in a recent communication [T. B. Adler, G. Knizia, …
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory.
Rauhut G, Knizia G, Werner HJ. Rauhut G, et al. Among authors: knizia g. J Chem Phys. 2009 Feb 7;130(5):054105. doi: 10.1063/1.3070236. J Chem Phys. 2009. PMID: 19206956
The recently proposed explicitly correlated CCSD(T)-F12x (x = a,b) approximations [T. B. Adler, G. Knizia, and H.-J. Werner, J. Chem. Phys. 127, 221106 (2007)] are applied to compute equilibrium structures and harmonic as well as anharmonic vibrational frequencies f …
The recently proposed explicitly correlated CCSD(T)-F12x (x = a,b) approximations [T. B. Adler, G. Knizia, and H.-J. Werner, J …
36 results