7 papers
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…
Atomically Reconfigurable Single-Molecule Optoelectronics
Atif Ghafoor, Santeri Neuvonen, Thinh Tran +6
Deterministic control of excitonic properties is key to advancing nanoscale optoelectronic and quantum technologies and to understanding diverse physical, optical, chemical, and bi…
Stability bounds for the generalized Kadanoff-Baym ansatz in the Holstein dimer
O. Moreno Segura, Y. Pavlyukh, R. Tuovinen
Predicting real-time dynamics in correlated systems is demanding: exact two-time Green's function methods are accurate but often too costly, while the Generalized Kadanoff-Baym Ans…
Thermoelectric energy conversion in molecular junctions out of equilibrium
R. Tuovinen, Y. Pavlyukh
Understanding time-resolved quantum transport is crucial for developing next-generation quantum technologies, particularly in nano- and molecular junctions subjected to time-depend…
Nonequilibrium transport through the Hubbard dimer
Yaroslav Pavlyukh, Riku Tuovinen
We apply a computationally efficient approach to study the time- and energy-resolved spectral properties of a two-site Hubbard model using the nonequilibrium Green's function forma…
Open system dynamics in linear-time beyond the wide-band limit
Yaroslav Pavlyukh, Riku Tuovinen
Nonequilibrium heat transport in quantum systems coupled to wide-band embeddings provides a striking example of the limitations of the generalized Kadanoff-Baym ansatz (GKBA), whil…