Visscher L - Search Results

1

Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures.

Pototschnig JV, Papadopoulos A, Lyakh DI, Repisky M, Halbert L, Severo Pereira Gomes A, Jensen HJA, Visscher L. Pototschnig JV, et al. Among authors: visscher l. J Chem Theory Comput. 2021 Sep 14;17(9):5509-5529. doi: 10.1021/acs.jctc.1c00260. Epub 2021 Aug 9. J Chem Theory Comput. 2021. PMID: 34370471 Free PMC article.

2

The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2.

Fleig T, Jensen HJ, Olsen J, Visscher L. Fleig T, et al. Among authors: visscher l. J Chem Phys. 2006 Mar 14;124(10):104106. doi: 10.1063/1.2176609. J Chem Phys. 2006. PMID: 16542067

3

Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes.

Tecmer P, Gomes AS, Knecht S, Visscher L. Tecmer P, et al. Among authors: visscher l. J Chem Phys. 2014 Jul 28;141(4):041107. doi: 10.1063/1.4891801. J Chem Phys. 2014. PMID: 25084873

4

Frozen-Density Embedding Potentials and Chiroptical Properties.

Crawford TD, Kumar A, Hannon KP, Höfener S, Visscher L. Crawford TD, et al. Among authors: visscher l. J Chem Theory Comput. 2015 Nov 10;11(11):5305-15. doi: 10.1021/acs.jctc.5b00845. Epub 2015 Oct 20. J Chem Theory Comput. 2015. PMID: 26574324

5

Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory.

Götz AW, Beyhan SM, Visscher L. Götz AW, et al. Among authors: visscher l. J Chem Theory Comput. 2009 Dec 8;5(12):3161-74. doi: 10.1021/ct9001784. J Chem Theory Comput. 2009. PMID: 26602501

6

Arbitrary-Order Density Functional Response Theory from Automatic Differentiation.

Ekström U, Visscher L, Bast R, Thorvaldsen AJ, Ruud K. Ekström U, et al. Among authors: visscher l. J Chem Theory Comput. 2010 Jul 13;6(7):1971-80. doi: 10.1021/ct100117s. J Chem Theory Comput. 2010. PMID: 26615926

7

Wave Function Frozen-Density Embedding: Coupled Excitations.

Höfener S, Visscher L. Höfener S, et al. Among authors: visscher l. J Chem Theory Comput. 2016 Feb 9;12(2):549-57. doi: 10.1021/acs.jctc.5b00821. Epub 2016 Jan 3. J Chem Theory Comput. 2016. PMID: 26653851

8

Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians.

Helmich-Paris B, Repisky M, Visscher L. Helmich-Paris B, et al. Among authors: visscher l. J Chem Phys. 2016 Jul 7;145(1):014107. doi: 10.1063/1.4955106. J Chem Phys. 2016. PMID: 27394099

9

Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit coupling.

Shee A, Visscher L, Saue T. Shee A, et al. Among authors: visscher l. J Chem Phys. 2016 Nov 14;145(18):184107. doi: 10.1063/1.4966643. J Chem Phys. 2016. PMID: 27846675

10

Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements.

Teodoro TQ, Visscher L, da Silva AB, Haiduke RL. Teodoro TQ, et al. Among authors: visscher l. J Chem Theory Comput. 2017 Mar 14;13(3):1094-1101. doi: 10.1021/acs.jctc.6b00650. Epub 2017 Jan 6. J Chem Theory Comput. 2017. PMID: 28005360

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

150 results

Search Page