Gergely Barcza

Tensor product methods and entanglement optimization for<i>ab initio</i>quantum chemistry

Szilárd Szalay, Max J. Pfeffer, V. Murg et al. · International Journal of Quantum Chemistry · 2015 · 293 citations · Full text

Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

Viktor Ivády, Gergely Barcza, Gergő Thiering et al. · npj Computational Materials · 2020 · 213 citations · Full text

Abstract Highly, Engineering, Cubic Boron Nitride +16

Quantum-information analysis of electronic states of different molecular structures

Gergely Barcza, Örs Legeza, Konrad H. Marti et al. · Physical Review A · 2011 · 206 citations · Full text

Orbital Entanglement in Bond-Formation Processes

Katharina Bogusławski, Paweł Tecmer, Gergely Barcza et al. · Journal of Chemical Theory and Computation · 2013 · 129 citations · Full text

Engineering, Many-body Quantum Physic, Electron Correlation Effects +16

Investigation of metal–insulator-like transition through the<i>ab initio</i>density matrix renormalization group approach

Edoardo Fertitta, Beate Paulus, Gergely Barcza et al. · Physical Review B · 2014 · 52 citations · Full text

Quantum Lattice System, Engineering, Computational Chemistry +18