Visscher L - Search Results

1

Towards systematically improvable models for actinides in condensed phase: the electronic spectrum of uranyl in Cs2UO2Cl4 as a test case.

Gomes AS, Jacob CR, Réal F, Visscher L, Vallet V. Gomes AS, et al. Among authors: visscher l. Phys Chem Chem Phys. 2013 Sep 28;15(36):15153-62. doi: 10.1039/c3cp52090k. Phys Chem Chem Phys. 2013. PMID: 23925312

2

Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures.

Yuan X, Halbert L, Pototschnig JV, Papadopoulos A, Coriani S, Visscher L, Pereira Gomes AS. Yuan X, et al. Among authors: visscher l. J Chem Theory Comput. 2024 Jan 23;20(2):677-694. doi: 10.1021/acs.jctc.3c00812. Epub 2024 Jan 9. J Chem Theory Comput. 2024. PMID: 38193434

3

Two-Component GW Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent GW Variants.

Förster A, van Lenthe E, Spadetto E, Visscher L. Förster A, et al. Among authors: visscher l. J Chem Theory Comput. 2023 Sep 12;19(17):5958-5976. doi: 10.1021/acs.jctc.3c00512. Epub 2023 Aug 18. J Chem Theory Comput. 2023. PMID: 37594901 Free PMC article.

4

CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds.

van Beek B, Zito J, Visscher L, Infante I. van Beek B, et al. Among authors: visscher l. J Chem Inf Model. 2022 Nov 28;62(22):5525-5535. doi: 10.1021/acs.jcim.2c00690. Epub 2022 Oct 31. J Chem Inf Model. 2022. PMID: 36314636 Free PMC article.

5

Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy.

Spadetto E, Philipsen PHT, Förster A, Visscher L. Spadetto E, et al. Among authors: visscher l. J Chem Theory Comput. 2023 Mar 14;19(5):1499-1516. doi: 10.1021/acs.jctc.2c01201. Epub 2023 Feb 14. J Chem Theory Comput. 2023. PMID: 36787494 Free PMC article.

6

Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes.

Jacob CR, Wesolowski TA, Visscher L. Jacob CR, et al. Among authors: visscher l. J Chem Phys. 2005 Nov 1;123(17):174104. doi: 10.1063/1.2107567. J Chem Phys. 2005. PMID: 16375514

7

Comparison of frozen-density embedding and discrete reaction field solvent models for molecular properties.

Jacob CR, Neugebauer J, Jensen L, Visscher L. Jacob CR, et al. Among authors: visscher l. Phys Chem Chem Phys. 2006 May 28;8(20):2349-59. doi: 10.1039/b601997h. Epub 2006 Apr 20. Phys Chem Chem Phys. 2006. PMID: 16710483

8

On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO2+, NpO2(2+), and PuO2(2+).

Infante I, Gomes AS, Visscher L. Infante I, et al. Among authors: visscher l. J Chem Phys. 2006 Aug 21;125(7):074301. doi: 10.1063/1.2244564. J Chem Phys. 2006. PMID: 16942333

9

Calculation of nuclear magnetic resonance shieldings using frozen-density embedding.

Jacob CR, Visscher L. Jacob CR, et al. Among authors: visscher l. J Chem Phys. 2006 Nov 21;125(19):194104. doi: 10.1063/1.2370947. J Chem Phys. 2006. PMID: 17129086

10

Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit.

Jacob CR, Beyhan SM, Visscher L. Jacob CR, et al. Among authors: visscher l. J Chem Phys. 2007 Jun 21;126(23):234116. doi: 10.1063/1.2743013. J Chem Phys. 2007. PMID: 17600413 Free article.

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