NEWS
Dates
March 2024
| 4 | th | 14:00 | R 413 | »An Incremental Scheme for correlation energies including expansions for occupied and virtual spaces through QM/QM embedding« | IlyasTürkmen |
June 2023
| 28 | th | 13:00 | R 413 | »Fragment molecular orbital method as a tool to study actinide/lanthanide - protein interactions« | SatoruTsushima |
June 2022
| th | 13:00 | R 413 | A Short Introduction to Quantum Computing and Quantum Information Theory | NilsHerrmann |
May 2022
| 12 | th | 14:00 | R 413 | One year of groundwork: CAHF/CASCI-SO | SimonLekat |
March 2022
| 24 | th | 13:00 | (Zoom) | Defense: | A Rigorously Spin-Adapted and Spin-Complete Coupled Cluster Method for Arbitrary High-Spin Open-Shell States (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | NilsHerrmann |
December 2021
| 7 | th | 10:00 | (Zoom) | Defense: | Implementation and Application of the Core Polarization Potential Ansatz in Quantum Chemical Systems (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | SaschaBubeck |
February 2021
| 3 | rd | 13:00 | (Zoom) | Defense: | An Automated Process for Reaction Network Construction by Means of B-Spline Curve Analysis (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | NikolasNowak |
January 2021
| 20 | th | 13:00 | (Zoom) | Talk: | Introduction to B-Spline Curves and their Applications (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | NikolasNowak |
November 2020
| 25 | th | 10:00 | (Zoom) | Defense: | Implementation of a Configuration-Averaged Open-Shell Hartree-Fock Method Using Density Contractions in the Primitive Basis (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | SimonLekat |
| 11 | th | 13:00 | (Zoom) | Defense: | Make CPPs Great Again (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | SaschaBubeck |
| 4 | th | 13:00 | (Zoom) | Talk: | Symmetry Adapted Basis in the QOL (This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!) | SimonLekat |
January 2020
| 29 | nd | 14:00 | R 413 | Talk: | Spin-Adapted and Spin-Complete Open-Shell CC – Building the Cluster Operator | NilsHerrmann |
| 22 | nd | 14:00 | R 413 | Talk: | Implementation of Population Analysis in the QOL | SimonLekat |
| 15 | th | 13:00 | R 413 | Talk: | Generalization of the MTD Approach for Excitonic Energy Transfer | Jan FabianDinkelbach (Düsseldorf) |
December 2019
| 11 | th | 13:00 | R 413 | Talk: | Twas the Talk Before Christmas: Nice Dipole Polarizabilities and a Naughty UHF | SaschaBubeck |
| 4 | th | 13:00 | R 413 | Talk: | Towards an Configuration Interaction Implemention of Non-Abelian Point Groups. | DanielleBarnett |
November 2019
| 28 | th | 14:00 | R 413 | Defense: | Implementation and Investigation of the Tailored Coupled Cluster approach | MaxMörchen |
| 27 | th | Talk: | Spin-Adapted and Spin-Complete Open-Shell CC – Building the Cluster Operator (adjourned sine die!) | NilsHerrmann | ||
| 13 | th | Talk: | Relativistic Calculations on Heavy Element Systems: ECP Method and Examples | XiaoyanCao-Dolg | ||
| 6 | th | Talk: | Web Technologies, Part 2: CSS | AnsgarTappenhölter |
July 2019
| 10 | th | Talk: | Parse me if you can - Peeking into the land of plenty | SaschaBubeck |
June 2019
| 26 | th | 13:00 | Talk: | Theoretical Studies on NADPH and its oxidized form NADP+ | XiaoyanCao | |
| 12 | th | Excursion: | ||||
| 5 | th | Talk: | diag2PS | MichaelHanrath |
May 2019
| 29 | th | 13:00 | R 413 | Talk: | How to Understand and Modify Emission Properties of Coinage Metal Complexes. | JelenaFöller (Düsseldorf) |
| 15 | th | Defense: | ScfMP method for the generation of local virtual domains in the environment of the Incremental Scheme | IlyasTürkmen |
April 2019
| 24 | th | Talk: | Geometry Optimization using Numeric Gradients | MaximilianMörchen | ||
| 24 | th | Talk: | Implementation of the Tailored Coupled Cluster approach | MaximilianMörchen |
January 2019
| 30 | th | Talk: | Structural, electronic, UV-vis absorption, and nonlinear optical properties of Actinides motexafins ([An-Motex]2+, An = Ac, Cm, Lr) and its hydrated complexes | XiaojunLi | ||
| 23 | rd | Talk: | Spin Adapted and Spin Complete Open Shell CC for Arbitrary Spin States – Reference Implementation and Preliminary Results | NilsHerrmann | ||
| 16 | th | Talk: | Some aspects of the Modelpotential method regarding molecules. | IlyasTürkmen | ||
| 9 | th | Talk: | Energy-consistent relativistic ab initio pseudopotentials for lanthanides. Some preliminary results. | MichaelDolg |
December 2018
| 19 | th | Talk: | XiaojunLi | |||
| 11 | th | Talk: | (GdCh Christmas Kolloquium) | XiaoyanCao | ||
| 5 | th | Talk: | Zur numerischen Lösung der nuklearen Schrödingergleichung: Vergleich von analytischen & numerischen Integrationsmethoden | NikolasNowak |
November 2018
| 15 | th | 14:00h | OC 413 | Talk: | My first year with the CPP and the QOL | SaschaBubeck |
| 14 | th | Talk: | On the Nature of Connectivity: R-Scaling of Tensors, Diagrams and N-Scaling | MichaelHanrath |
October 2018
| 24 | th | Defense | SarahSegieth | |||
| 17 | th | Defense | NorahHeinz |