| 12:00-12:30 |
|
Arrival and Registration |
| 12:30-14:00 |
|
Lunch |
| Chair: |
Christof Hättig |
| 14:00-14:50, I1 |
Kenneth Ruud |
Calculating vibrational contributions to molecular electric and magnetic properties
(Abstract, pdf) |
| 14:50-15:20, L1 |
Thomas Adler |
Local explicitly correlated coupled cluster methods: DF-LCCSD(T)-F12
(Abstract, pdf) |
| 15:20-15:50, L2 |
Christian Ochsenfeld |
Linear scaling AO-MP2 for large molecules
(Abstract, pdf) |
| 15:50-16:20 |
|
Coffee |
| 16:20-16:50, L3 |
Denis Usvyat |
Local and non-local density fitting in periodic methods
(Abstract, pdf) |
| 16:50-17:20, L4 |
Beate Paulus |
Development of a wavefunction-based ab initio method for metals applying the method of increments
(Abstract, pdf) |
| 17:20-17:50, C1 |
Joachim Friedrich |
Implementation of the incremental scheme
(Abstract, pdf) |
| 17:50-18:20, C2 |
Lasse Soerensen |
General order coupled-cluster in the 4-component framework
(Abstract, pdf) |
| 18:30-20:00 |
|
Dinner |
| 07:45-09:00 |
|
Breakfast |
| Chair: |
Wolfgang Hackbusch |
| 09:00-9:50, I2 |
Eric Cances |
Some mathematical and numerical challenges in density functional theory
(Abstract, pdf) |
| 09:50-10:20, L5 |
Reinhold Schneider |
Tensor approximation and quantum chemistry
(Abstract, pdf) |
| 10:20-10:50 |
|
Coffee |
| 10:50-11:20, L6 |
Alexander Auer |
Tensor decomposition in post-HF methods
(Abstract, pdf) |
| 11:20-11:50, L7 |
Jan Hamaekers |
Tensor product multiscale many-particle spaces with finite-order weights for the electronic Schrödinger equation
(Abstract, pdf) |
| 11:50-12:20, L8 |
Manfred Taut |
Violation of non-interacting v-representability in CDFT
(Abstract, pdf) |
| 12:30-14:00 |
|
Lunch |
| Chair: |
Martin Kaupp |
| 14:00-14:50, I3 |
Evert Jan Baerends |
Excitation energies with time-dependent density matrix functional theory
(Abstract, pdf) |
| 14:50-15:20, L9 |
Andreas Görling |
Orbital-dependent kernels in time-dependent density-functional theory and new correlation functionals
(Abstract, pdf) |
| 15:20-15:50 |
Andreas Dreuw |
An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory
(Abstract, pdf) |
| 15:50-16:20, L10 |
|
Coffee |
| 16:20-16:50, L11 |
Alexei Arbuznikov |
Advances in local hybrid exchange-correlation functionals: from thermochemistry to response properties
(Abstract, pdf) |
| 16:50-17:20, L12 |
Christoph van Wüllen |
DFT calculation of magnetic anisotropies for multinuclear complexes with antiferromagnetic coupling
(Abstract, pdf) |
| 17:20-17:50, L13 |
Eberhard Engel |
Insulating Ground States of Transition-Metal Monoxides from Exact Exchange
(Abstract, pdf) |
| 17:50-18:20, L14 |
Michael Springborg |
Extended systems in electrostatic fields
(Abstract, pdf) |
| 18:30-20:00 |
|
Dinner |
| 20:00-22:00 |
|
Posters |
| 07:45-09:00 |
|
Breakfast |
| Chair: |
Heinz-Jürgen Flad |
| 09:00-9:50, I4 |
Anna Krylov |
Electronic structure aspects of photoconversions of the green fluorescent protein chromophore
(Abstract, pdf) |
| 09:50-10:20, L15 |
Willem Klopper |
Explicitly correlated molecular electronic wave functions: energies and analytic derivatives
(Abstract, pdf) |
| 10:20-10:50 |
|
Coffee |
| 10:50-11:20, L16 |
Danylo Kats |
Excited states from local methods
(Abstract, pdf) |
| 11:20-11:50, L17 |
Arne Lüchow |
Quantum Monte Carlo: nodes, antisymmetry and how to get insight from QMC
(Abstract, pdf) |
| 11:50-12:20, L18 |
Peter Saalfrank |
Correlated many-electron dynamics in real time using wavefunction methods
(Abstract, pdf) |
| 12:30-14:00 |
|
Lunch |
| Chair: |
Hubert Ebert |
| 14:00-14:50, I5 |
Weitao Yang |
Insights and progress in density functional theory
(Abstract, pdf) |
| 14:50-15:20, L19 |
Heinz Siedentop |
Ground State Energies of Coulomb Systems and One-Particle Reduced Density Matrices
(Abstract, pdf) |
| 15:20-15:50, L20 |
Eberhard K.U. Gross |
Density functional theory at finite temperature: towards the ab initio description of phase transitions
(Abstract, pdf) |
| 15:50-16:20 |
|
Coffee |
| 16:20-16:50, L21 |
Diemo Ködderitzsch |
DFT and beyond using a multiple scattering approach
(Abstract, pdf) |
| 16:50-17:20, L22 |
Peter Blöchl |
Density-matrix functionals with local interactions
(Abstract, pdf) |
| 17:20-17:50, L23 |
Arno Schindlmayr |
Spin excitations in itinerant ferromagnets from first principles
(Abstract, pdf) |
| 17:50-18:20, C3 |
Christoph Friedrich |
Efficient all-electron implementation of the GW approximation within the full-potential linearized augmented plane-wave method
(Abstract, pdf) |
| 18:30-20:00 |
|
Dinner |