Bischoff FA - Search Results

1

Coupled-Cluster in Real Space. 1. CC2 Ground State Energies Using Multiresolution Analysis.

Kottmann JS, Bischoff FA. Kottmann JS, et al. Among authors: bischoff fa. J Chem Theory Comput. 2017 Dec 12;13(12):5945-5955. doi: 10.1021/acs.jctc.7b00694. Epub 2017 Nov 7. J Chem Theory Comput. 2017. PMID: 28902997

2

Coupled-Cluster in Real Space. 2. CC2 Excited States Using Multiresolution Analysis.

Kottmann JS, Bischoff FA. Kottmann JS, et al. Among authors: bischoff fa. J Chem Theory Comput. 2017 Dec 12;13(12):5956-5965. doi: 10.1021/acs.jctc.7b00695. Epub 2017 Oct 27. J Chem Theory Comput. 2017. PMID: 28902991

3

Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller-Plesset energy.

Kottmann JS, Bischoff FA, Valeev EF. Kottmann JS, et al. Among authors: bischoff fa. J Chem Phys. 2020 Feb 21;152(7):074105. doi: 10.1063/1.5141880. J Chem Phys. 2020. PMID: 32087647

4

Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation.

Kottmann JS, Höfener S, Bischoff FA. Kottmann JS, et al. Among authors: bischoff fa. Phys Chem Chem Phys. 2015 Dec 21;17(47):31453-62. doi: 10.1039/c5cp00345h. Phys Chem Chem Phys. 2015. PMID: 25913482

5

Reduction of Hartree-Fock Wavefunctions to Kohn-Sham Effective Potentials Using Multiresolution Analysis.

Stückrath JB, Bischoff FA. Stückrath JB, et al. Among authors: bischoff fa. J Chem Theory Comput. 2021 Mar 9;17(3):1408-1420. doi: 10.1021/acs.jctc.0c01103. Epub 2021 Feb 23. J Chem Theory Comput. 2021. PMID: 33620202

6

Computing molecular correlation energies with guaranteed precision.

Bischoff FA, Valeev EF. Bischoff FA, et al. J Chem Phys. 2013 Sep 21;139(11):114106. doi: 10.1063/1.4820404. J Chem Phys. 2013. PMID: 24070278

7

Thermochemistry of FeO_mH_n^z Species: Assessment of Some DFT Functionals.

Reimann M, Bischoff FA, Sauer J. Reimann M, et al. Among authors: bischoff fa. J Chem Theory Comput. 2020 Apr 14;16(4):2430-2435. doi: 10.1021/acs.jctc.0c00088. Epub 2020 Mar 27. J Chem Theory Comput. 2020. PMID: 32216334

8

Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom.

Bischoff FA, Harrison RJ, Valeev EF. Bischoff FA, et al. J Chem Phys. 2012 Sep 14;137(10):104103. doi: 10.1063/1.4747538. J Chem Phys. 2012. PMID: 22979846

9

[Al2O4](-), a Benchmark Gas-Phase Class II Mixed-Valence Radical Anion for the Evaluation of Quantum-Chemical Methods.

Kaupp M, Karton A, Bischoff FA. Kaupp M, et al. Among authors: bischoff fa. J Chem Theory Comput. 2016 Aug 9;12(8):3796-806. doi: 10.1021/acs.jctc.6b00594. Epub 2016 Jul 29. J Chem Theory Comput. 2016. PMID: 27434425

10

Regularizing the molecular potential in electronic structure calculations. II. Many-body methods.

Bischoff FA. Bischoff FA. J Chem Phys. 2014 Nov 14;141(18):184106. doi: 10.1063/1.4901022. J Chem Phys. 2014. PMID: 25399131

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