264 citations · 2.6k across the 71 of their papers we have counts for
7 papers · 1 filter
Optical phonons for Peierls chains with long-range Coulomb interactions
Máté Timár, Gergely Barcza, Florian Gebhard +1
We consider a chain of atoms that are bound together by a harmonic force. Spin-1/2 electrons that move between neighboring chain sites (Hückel model) induce a lattice dimerization…
On the Multi-Reference Nature of Plutonium Oxides: PuO, PuO, PuO and PuO(OH)
Katharina Boguslawski, Florent Réal, Paweł Tecmer +5
Actinide-containing complexes present formidable challenges for electronic structure methods due to the large number of degenerate or quasi-degenerate electronic states arising fro…
Analysis of two-orbital correlations in wavefunctions restricted to electron-pair states
Katharina Boguslawski, Paweł Tecmer, Örs Legeza
Wavefunctions constructed from electron-pair states can accurately model strong electron correlation effects and are promising approaches especially for larger many-body systems. I…
Coupled cluster method with single and double excitations tailored by matrix product state wave functions
Libor Veis, Andrej Antalík, Jiří Brabec +3
In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strong…
The correlation theory of the chemical bond
Szilárd Szalay, Gergely Barcza, Tibor Szilvási +2
The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of l…
Entanglement, excitations and correlation effects in narrow zigzag graphene nanoribbons
I. Hagymasi, O. Legeza
We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have b…
Characterization of a correlated topological Kondo insulator in one dimension
I. Hagymasi, O. Legeza
We investigate the ground-state of a p-wave Kondo-Heisenberg model introduced by Alexandrov and Coleman with an Ising-type anisotropy in the Kondo interaction and correlated conduc…