| I3 |
Evert Jan Baerends |
Excitation energies with time-dependent density matrix functional theory
(Abstract, pdf) |
| I2 |
Eric Cances |
Some mathematical and numerical challenges in density functional theory
(Abstract, pdf) |
| I4 |
Anna Krylov |
Electronic structure aspects of photoconversions of the green fluorescent protein chromophore
(Abstract, pdf) |
| I6 |
Markus Reiher |
New parametrizations of the electronic wave function: from DMRG to tensor network states
(Abstract, pdf) |
| I1 |
Kenneth Ruud |
Calculating vibrational contributions to molecular electric and magnetic properties
(Abstract, pdf) |
| I7 |
Peter Szalay |
Behind the Born-Oppenheimer approximation by coupled cluster methods
(Abstract, pdf) |
| I5 |
Weitao Yang |
Insights and progress in density functional theory
(Abstract, pdf) |
| L1 |
Thomas Adler |
Local explicitly correlated coupled cluster methods: DF-LCCSD(T)-F12
(Abstract, pdf) |
| L11 |
Alexei Arbuznikov |
Advances in local hybrid exchange-correlation functionals: from thermochemistry to response properties
(Abstract, pdf) |
| L6 |
Alexander Auer |
Tensor decomposition in post-HF methods
(Abstract, pdf) |
| L22 |
Peter Blöchl |
Density-matrix functionals with local interactions
(Abstract, pdf) |
| L10 |
Andreas Dreuw |
An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory
(Abstract, pdf) |
| L13 |
Eberhard Engel |
Insulating ground states of transition-metal monoxides from exact exchange
(Abstract, pdf) |
| L9 |
Andreas Görling |
Orbital-dependent kernels in time-dependent density-functional theory and new correlation functionals
(Abstract, pdf) |
| L20 |
Eberhard K.U. Groß |
Density functional theory at finite temperature: towards the ab initio description of phase transitions
(Abstract, pdf) |
| L7 |
Jan Hamaekers |
Tensor product multiscale many-particle spaces with finite-order weights for the electronic Schrödinger equation
(Abstract, pdf) |
| L24 |
Michael Hanrath |
Properties of various MRCC-type approaches
(Abstract, pdf) |
| L16 |
Danylo Kats |
Excited states from local methods
(Abstract, pdf) |
| L15 |
Willem Klopper |
Explicitly correlated molecular electronic wave functions: energies and analytic derivatives
(Abstract, pdf) |
| L21 |
Diemo Ködderitzsch |
DFT and beyond using a multiple scattering approach
(Abstract, pdf) |
| L17 |
Arne Lüchow |
Quantum Monte Carlo: nodes, antisymmetry and how to get insight from QMC
(Abstract, pdf) |
| L2 |
Christian Ochsenfeld |
Linear scaling AO-MP2 for large molecules
(Abstract, pdf) |
| L4 |
Beate Paulus |
Development of a wavefunction-based ab initio method for metals applying the method of increments
(Abstract, pdf) |
| L18 |
Peter Saalfrank |
Correlated many-electron dynamics in real time using wavefunction methods
(Abstract, pdf) |
| L23 |
Arno Schindlmayr |
Spin excitations in itinerant ferromagnets from first principles
(Abstract, pdf) |
| L5 |
Reinhold Schneider |
Tensor approximation and quantum chemistry
(Abstract, pdf) |
| L19 |
Heinz Siedentop |
Ground State Energies of Coulomb Systems and One-Particle Reduced Density Matrices
(Abstract, pdf) |
| L14 |
Michael Springborg |
Extended systems in electrostatic fields
(Abstract, pdf) |
| L8 |
Manfred Taut |
Violation of non-interacting v-representability in CDFT
(Abstract, pdf) |
| L3 |
Denis Usvyat |
Local and non-local density fitting in periodic methods
(Abstract, pdf) |
| L12 |
Christoph van Wüllen |
DFT calculation of magnetic anisotropies for multinuclear complexes with antiferromagnetic coupling
(Abstract, pdf) |
| P1 |
Udo Benedikt |
Tensor decomposition in post-HF methods
(Abstract, pdf) |
| P2 |
Tim Bredtmann |
Electronic and nuclear fluxes during pericyclic reactions: Quantum simulations for the Cope rearrangement of Semibullvalene
(Abstract, pdf) |
| P3 |
Lucien Clin |
Cholesky-decomposed densities in Laplace-based second-order Moeller-Plesset perturbation theory
(Abstract, pdf) |
| P4 |
Anna Engels-Putzka |
Efficient implementation of highly excited coupled cluster
(Abstract, pdf) |
| P5 |
Sebastian Höfener |
Analytical nuclear gradients for RI-MP2-F12
(Abstract, pdf) |
| P6 |
Michael Hülsen |
Investigation of electronic structure and properties of solid EuC2 and YbC2
(Abstract, pdf) |
| P7 |
Stefan Klinkusch |
Laser-induced electron dynamics including photoionization: A heuristic model within TD-CI theory
(Abstract, pdf) |
| P8 |
Marco Lorenz |
Periodic density fitting local CIS
(Abstract, pdf) |
| P9 |
Oliver Marchetti |
Calculation of intermolecular interaction energies using explicitly correlated coupled-cluster methods
(Abstract, pdf) |
| P10 |
Carsten Müller |
Application of the method of increments for the investigation of electron correlation effects in physisorbed systems
(Abstract, pdf) |
| P11 |
Daniel Pape |
Calculation of small test systems employing multi-reference coupled-cluster
(Abstract, pdf) |
| P12 |
Jürgen Plötner |
Development and first tests for an additive long range corrected xc-functional
(Abstract, pdf) |
| P13 |
Dirk Rehn |
Influence of bond length alternation and methyl substitution on the lowest excited states of linear polyenes
(Abstract, pdf) |
| P14 |
Violina Tevekeliyska |
Implementation of a vector potential method in an ab initio Hartree-Fock code
(Abstract, pdf) |
| P15 |
Martin Torheyden |
Perturbatively explicitly correlated basis set incompleteness corrections
(Abstract, pdf) |
| P16 |
Katarzyna Walczak |
BSSE correction for N-body clusters within an approximate treatment of the site-site function counterpoise scheme
(Abstract, pdf) |
| P17 |
Michael Wormit |
The algebraic diagrammatic construction scheme for the calculation of electronic excited states employing localized orbitals
(Abstract, pdf) |
| P18 |
Liu Yu |
Linear scaling open-shell local correlation methods
(Abstract, pdf) |