Important notice: Due to the enduring Corona crisis there are currently no in-class lectures! Material for self-study (exercises etc.) can be obtained on »ILIAS« (the Cologne University’s e-learning platform) via the following path: Repository › Veranstaltungen › Wintersemester2020/21 KLIPS › Mathematisch-Naturwissenschaftliche Fakultät › Department für Chemie.

November 2020

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!)
Make CPPs Great Again
(This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!)
Symmetry Adapted Basis in the QOL
(This talk will be held via »Zoom« – please request an invitation from the lecturer by e-mail!)

January 2020

29nd14:00R 413Talk:Spin-Adapted and Spin-Complete Open-Shell CC – Building the Cluster OperatorNilsHerrmann
22nd14:00R 413Talk:Implementation of Population Analysis in the QOLSimonLekat
15th13:00R 413Talk:Generalization of the MTD Approach for Excitonic Energy TransferJan FabianDinkelbach

December 2019

11th13:00R 413Talk:Twas the Talk Before Christmas: Nice Dipole Polarizabilities and a Naughty UHFSaschaBubeck
4th13:00R 413Talk:Towards an Configuration Interaction Implemention of Non-Abelian Point Groups.DanielleBarnett

November 2019

28th14:00R 413Defense:Implementation and Investigation of the Tailored Coupled Cluster approachMaxMörchen
27thTalk:Spin-Adapted and Spin-Complete Open-Shell CC – Building the Cluster Operator (adjourned sine die!)NilsHerrmann
13thTalk:Relativistic Calculations on Heavy Element Systems: ECP Method and ExamplesXiaoyanCao-Dolg
6thTalk:Web Technologies, Part 2: CSSAnsgarTappenhölter

July 2019

10thTalk:Parse me if you can - Peeking into the land of plentySaschaBubeck

June 2019

26th13:00Talk:Theoretical Studies on NADPH and its oxidized form NADP+XiaoyanCao

May 2019

29th13:00R 413Talk:How to Understand and Modify Emission Properties of Coinage Metal Complexes.JelenaFöller
15thDefense:ScfMP method for the generation of local virtual domains in the environment of the Incremental SchemeIlyasTürkmen

April 2019

24thTalk:Geometry Optimization using Numeric GradientsMaximilianMörchen
24thTalk:Implementation of the Tailored Coupled Cluster approachMaximilianMörchen

January 2019

30thTalk:Structural, electronic, UV-vis absorption, and nonlinear optical properties of Actinides motexafins ([An-Motex]2+, An = Ac, Cm, Lr) and its hydrated complexesXiaojunLi
23rdTalk:Spin Adapted and Spin Complete Open Shell CC for Arbitrary Spin States – Reference Implementation and Preliminary ResultsNilsHerrmann
16thTalk:Some aspects of the Modelpotential method regarding molecules.IlyasTürkmen
9thTalk:Energy-consistent relativistic ab initio pseudopotentials for lanthanides. Some preliminary results.MichaelDolg

December 2018

11thTalk:(GdCh Christmas Kolloquium)XiaoyanCao
5thTalk:Zur numerischen Lösung der nuklearen Schrödingergleichung: Vergleich von analytischen & numerischen IntegrationsmethodenNikolasNowak

November 2018

15th14:00hOC 413Talk:My first year with the CPP and the QOLSaschaBubeck
14thTalk:On the Nature of Connectivity: R-Scaling of Tensors, Diagrams and N-ScalingMichaelHanrath

October 2018