87 citations · 209 across the 14 of their papers we have counts for
15 papers
Third-order Algebraic Diagrammatic Construction Renormalized by Particle-Particle Ladders
Arno Förster
The algebraic diagrammatic construction (ADC) of the electronic self-energy is based on Moller-Plesset perturbation theory. Its vertices contain bare energy denominators that do no…
Benchmark of Multi-Channel Dyson Equation and Algebraic Diagrammatic Construction Methods for molecules
Mike Keizer, Stefano Paggi, J. Arjan Berger +2
The Dyson-algebraic diagrammatic construction (ADC) and the multi-channel Dyson equation (MCDE) formalisms explicitly leverage multi-particle channels to formulate correlated theor…
Approaching Coupled Cluster Accuracy with Positive Semidefinite Vertex Corrected Self-Energies
Yaroslav Pavlyukh, Fabien Bruneval, Arno Förster
Hedin's formalism of functional derivatives is the best-known method for systematically constructing correlated electronic theories, largely due to the success of its lowest-order…
reduced density matrix from iterated linearized Dyson equation
Fabien Bruneval, Erik Verzijl, Arno Förster +1
Iterating the Dyson equation with the static part of the self-energy leads to a concise and possibly improved expression of the one-body reduced density matrix from any self-energy…
Static Effective Hamiltonians for Molecular Systems through RPA-based Downfolding
Erik Verzijl, Arno Förster
Green's function-based downfolding methods construct effective Hamiltonians of reduced dimension that capture dynamical correlations of an electronic environment through effective…
qs quasiparticle and -BSE excitation energies of 133,885 molecules
Dario Baum, Arno Förster, Lucas Visscher
Machine learning applications in the chemical sciences, especially when based on neural networks, critically depend on the availability of large quantities of high quality data. As…
Predicting complete basis set limit quasiparticle energies from triple- calculations
Dario Baum, Lucas Visscher, Arno Förster
We present a simple linear model to estimate the basis set incompleteness errors (BSIE) of (vertex-corrected) QP energies based on the kinetic energy of the corresponding orbi…
Calculation and analysis of exciton couplings via a subsystem formulation of the -Bethe-Salpeter Equation
Sarathchandra Khandavilli, Arno Förster, Lucas Visscher
We present a fragment-based framework for analyzing exciton couplings within the -Bethe-Salpeter Equation formalism using localized molecular orbitals, and assess how excitonic…
Fully dynamic G3W2 self-energy for finite systems: Formulas and benchmark
Fabien Bruneval, Arno Förster
Over the years, Hedin's self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules.…
Two-component calculations: Cubic scaling implementation and comparison of vertex corrected and partially self-consistent variants
Arno Förster, Erik van Lenthe, Edoardo Spadetto +1
We report an all-electron, atomic orbital (AO) based, two-component (2C) implementation of the approximation (GWA) for closed-shell molecules. Our algorithm is based on the sp…
Towards Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy
Edoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster +1
Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the…
Quasiparticle Self-Consistent -Bethe-Salpeter equation calculations for large chromophoric systems
Arno Förster, Lucas Visscher
The -Bethe-Salpeter Equation (BSE) method is promising for calculating the low-lying excited states of molecular systems. So far, it has only been applied to rather small molec…
Assessment of the second-order statically screened exchange correction to the random phase approximation for correlation energies
Arno Förster
With increasing inter-electronic distance, the screening of the electron-electron interaction by the presence of other electrons becomes the dominant source of electron correlation…
GW100: A Slater Type Orbital Perspective
Arno Förster, Lucas Visscher
We calculate complete basis set (CBS) limit extrapolated ionization potentials (IP) and electron affinities (EA) with Slater Type Basis sets for the molecules in the GW100 database…
Low-order Scaling by Pair Atomic Density Fitting
Arno Förster, Lucas Visscher
We derive a low-scaling algorithm for molecules, using pair atomic density fitting (PADF) and an imaginary time representation of the Green's function and describe its imp…