15 citations · 37 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2021★ 15 cited
Towards large-scale restricted active space calculations inspired by the Schmidt decomposition
Gergely Barcza, Miklós Antal Werner, Gergely Zaránd +4
We present an alternative, memory-efficient, Schmidt decomposition-based description of the inherently bipartite restricted active space (RAS) scheme, which can be implemented effo…
physics.chem-ph2021★ 14 cited
Sensitivity of Coupled Cluster Electronic Properties on the Reference Determinant: Can Kohn-Sham Orbitals Be More Beneficial than Hartree-Fock Orbitals?
Zsolt Benedek, Paula Tímár, Tibor Szilvási +1
Coupled cluster calculations are traditionally performed over Hartree-Fock reference orbitals (HF-CC methodology). However, it has been repeatedly argued in the literature that the…
physics.chem-ph2015★ 8 cited
Concept of chemical bond and aromaticity based on quantum information theory
T. Szilvási, G. Barcza, Ö. Legeza
Quantum information theory (QIT) emerged in physics as standard technique to extract relevant information from quantum systems. It has already contributed to the development of nov…