NEWS
TC revision course
Dear students,
in the upcoming winter semester 2022/23 there is going to be an additional course, which is to prepare for the exams in Theoretical Chemistry on 8.11.2022 (TC I, 2. repetition) and 4.4.2023 (TC II, 2. repetition). Target audience are those students studying according to the »old« PO Ba Chemie (2020), who have not passed the module Theoretical Chemistry yet. In this course old examination-papers will be discussed, the solutions of which are not published on ILIAS yet as sample or example solutions under the correspondent lectures TC I and TC II. This course does not replace one’s own initiative, but is to support it.
The following appointments are scheduled:
Place: Hörsaal III
Time: Friday, 14:00-16:00
- Preparation TC I on 08.11.2022:
14.10.22, 21.10.22, 28.10.22, 04.11.22 - Preparation TC II on 04.04.2023:
16.12.22, 13.01.23, 20.01.23, 27.01.23
Place: Hörsaal III
Time: Friday, 10:00-12:00
- Preparation TC II on 04.04.2023:
27.03.23, 28.03.23
Best regards,
Michael Dolg
Dates
June 2023
| 28 | th | 13:00 | R 413 | (title will follow) | 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 |