1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024
Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning
Pavlo Golub, Chao Yang, Vojtěch Vlček +1
Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost.…
physics.chem-ph2023★ 1 cited
The role of spin polarization and dynamic correlation in singlet-triplet gap inversion of heptazine derivatives
Daria Drwal, Mikulas Matousek, Pavlo Golub +5
The new generation of proposed light-emitting molecules for OLEDs has raised a considerable research interest due to its exceptional feature-a negative singlet-triplet (ST) gap vio…