Rehn DR - Search Results

1

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

Orms N, Rehn DR, Dreuw A, Krylov AI. Orms N, et al. Among authors: rehn dr. J Chem Theory Comput. 2018 Feb 13;14(2):638-648. doi: 10.1021/acs.jctc.7b01012. Epub 2018 Jan 16. J Chem Theory Comput. 2018. PMID: 29268010

2

Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: two-photon absorption spectra.

Knippenberg S, Rehn DR, Wormit M, Starcke JH, Rusakova IL, Trofimov AB, Dreuw A. Knippenberg S, et al. Among authors: rehn dr. J Chem Phys. 2012 Feb 14;136(6):064107. doi: 10.1063/1.3682324. J Chem Phys. 2012. PMID: 22360169

3

Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation.

Plasser F, Thomitzni B, Bäppler SA, Wenzel J, Rehn DR, Wormit M, Dreuw A. Plasser F, et al. Among authors: rehn dr. J Comput Chem. 2015 Aug 5;36(21):1609-20. doi: 10.1002/jcc.23975. Epub 2015 Jun 29. J Comput Chem. 2015. PMID: 26119286

4

Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator.

Lefrancois D, Rehn DR, Dreuw A. Lefrancois D, et al. Among authors: rehn dr. J Chem Phys. 2016 Aug 28;145(8):084102. doi: 10.1063/1.4961298. J Chem Phys. 2016. PMID: 27586899

5

Benchmarking Post-Hartree-Fock Methods To Describe the Nonlinear Optical Properties of Polymethines: An Investigation of the Accuracy of Algebraic Diagrammatic Construction (ADC) Approaches.

Knippenberg S, Gieseking RL, Rehn DR, Mukhopadhyay S, Dreuw A, Brédas JL. Knippenberg S, et al. Among authors: rehn dr. J Chem Theory Comput. 2016 Nov 8;12(11):5465-5476. doi: 10.1021/acs.jctc.6b00615. Epub 2016 Oct 17. J Chem Theory Comput. 2016. PMID: 27715035

6

Resonant Inelastic X-ray Scattering Amplitudes and Cross Sections in the Algebraic Diagrammatic Construction/Intermediate State Representation (ADC/ISR) Approach.

Rehn DR, Dreuw A, Norman P. Rehn DR, et al. J Chem Theory Comput. 2017 Nov 14;13(11):5552-5559. doi: 10.1021/acs.jctc.7b00636. Epub 2017 Oct 12. J Chem Theory Comput. 2017. PMID: 28937757

7

Hodecker M, Rehn DR, Dreuw A, Höfener S. Hodecker M, et al. Among authors: rehn dr. J Chem Phys. 2019 Apr 28;150(16):164125. doi: 10.1063/1.5093606. J Chem Phys. 2019. PMID: 31042876

8

Analytic nuclear gradients of the algebraic-diagrammatic construction scheme for the polarization propagator up to third order of perturbation theory.

Rehn DR, Dreuw A. Rehn DR, et al. J Chem Phys. 2019 May 7;150(17):174110. doi: 10.1063/1.5085117. J Chem Phys. 2019. PMID: 31067896

9

Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies.

Hodecker M, Dempwolff AL, Rehn DR, Dreuw A. Hodecker M, et al. Among authors: rehn dr. J Chem Phys. 2019 May 7;150(17):174104. doi: 10.1063/1.5081663. J Chem Phys. 2019. PMID: 31067906

10

Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities.

Hodecker M, Rehn DR, Norman P, Dreuw A. Hodecker M, et al. Among authors: rehn dr. J Chem Phys. 2019 May 7;150(17):174105. doi: 10.1063/1.5081665. J Chem Phys. 2019. PMID: 31067909

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