Constraints upon Functionals of the 1-Matrix, Universal Properties of Natural Orbitals, and the Fallacy of the Collins “Conjecture”
J Cioslowski, K Strasburger - The Journal of Physical Chemistry …, 2024 - ACS Publications
Reliability of quantum-chemical calculations based upon the density functional theory and
its 1-matrix counterpart hinges upon minimizing the extent of empirical parameterization in …
its 1-matrix counterpart hinges upon minimizing the extent of empirical parameterization in …
Natural orbitals and their occupation numbers in a non-interacting two-anyon system in the magnetic gauge
J Cioslowski, OM Brown, T Maciazek - arxiv preprint arxiv:2309.14023, 2023 - arxiv.org
We investigate the properties of natural orbitals and their occupation numbers of the ground
state of two non-interacting anyons characterised by the fractional exchange parameter …
state of two non-interacting anyons characterised by the fractional exchange parameter …
Natural orbitals and their occupation numbers for free anyons in the magnetic gauge
J Cioslowski, OM Brown, T Maciazek - Physical Review A, 2024 - APS
We investigate the properties of natural orbitals and their occupation numbers of the ground
state of two noninteracting anyons characterized by the fractional statistics parameter α and …
state of two noninteracting anyons characterized by the fractional statistics parameter α and …
Characteristic features of strong correlation: lessons from a 3-fermion one-dimensional harmonic trap
V Caliva, JI Fuks - Journal of Physics: Materials, 2024 - iopscience.iop.org
Many quantum phenomena responsible for key applications in material science and
quantum chemistry arise in the strongly correlated regime. This is at the same time, a costly …
quantum chemistry arise in the strongly correlated regime. This is at the same time, a costly …
Single-particle-exact density functional theory
We introduce 'single-particle-exact density functional theory'(1pEx-DFT), a novel density
functional approach that represents all single-particle contributions to the energy with exact …
functional approach that represents all single-particle contributions to the energy with exact …
Characteristic features of the strongly-correlated regime: Lessons from a 3-fermion one-dimensional harmonic trap
V Caliva, JI Fuks - arxiv preprint arxiv:2401.04733, 2024 - arxiv.org
The transition into a strongly-correlated regime of 3 fermions trapped in a one-dimensional
harmonic potential is investigated. This interesting, but little-studied system, allows us to …
harmonic potential is investigated. This interesting, but little-studied system, allows us to …