Related papers: Configuration interaction projected density functi…
While configuration interaction singles (CIS) provides a computationally efficient description of excited states, it systematically overestimates excitation energies and performs poorly for strongly correlated systems, partly due to the…
Energy levels and emission spectra of $W^{25+}$ ion have been studied by performing the large-scale relativistic configuration interaction calculations. Configuration interaction strength is used to determine the configurations exhibiting…
Data from the inelastic scattering of electrons, and of intermediate energy protons and pions leading to ``stretched'' configuration 4- states near 19 MeV excitation in 16O as well as from charge exchange (p,n) scattering to an isobaric…
Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit…
Simulating entangled atoms is a prerequisite to modeling quantum materials and remains an outstanding challenge for theory. I introduce a correlated wavefunction approach capable of simulating large entangled systems, and demonstrate its…
Excitation energies and transition probabilities of the first $2^+$ excitations in even tin and lead isotopes as well as the quadrupole moments of odd neighbors of these isotopes are calculated within the self-consistent Theory of Finite…
The effect of unstable quasiparticles in the out-of-equilibrium dynamics of certain integrable systems has been the subject of several recent studies. In this paper we focus on the stationary value of the entanglement entropy density, its…
A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle…
Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…
We consider configurations of $N$ charged particles on the interval with nearest neighbour Coulomb interaction and constant external force. For different values of external force we find 4 different phases of the asymptotic particle density…
In recent years, dynamical phase transitions and out-of-equilibrium criticality have been at the forefront of ultracold gases and condensed matter research. Whereas universality and scaling are established topics in equilibrium quantum…
Odd-diffusive systems are characterized by transverse responses and exhibit unconventional behaviors in interacting systems. To address the dynamical interparticle rearrangements in a minimal system, we here exactly solve the problem of two…
The efficiency of the recently proposed iCIPT2 [iterative configuration interaction (iCI) with selection and second-order perturbation theory (PT2); J. Chem. Theory Comput. 16, 2296 (2020)] for strongly correlated electrons is further…
We study numerically the configuration space at low energy of electron glasses. We consider systems with Coulomb interactions, short-range interactions and no interactions. First, we calculate the integrated density of configurations as a…
The particle-hole interaction problem is longstanding within time-dependent density functional theory (TDDFT) and leads to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that…
We examine metastable configurations of a two-dimensional system of interacting particles on a quenched random potential landscape and ask how the configurational pair correlation function is related to the particle interactions and the…
Interference effects in effective field theory (EFT) analyses can significantly distort sensitivity expectations, leaving subtle yet distinct signatures in the reconstruction of final states crucial for limit setting around Standard Model…
We report three-dimensional particle mechanics static calculations that predict the microstructure evolution during die-compaction of elastic spherical particles up to relative densities close to one. We employ a nonlocal contact…
Systematic investigation of the accuracy of the description of the energies of deformed one-quasiparticle states has been performed in covariant density functional theory in actinide and rare-earth mass regions. The sources of the…
This Thesis explores how tools from Statistical Physics and Information Theory can help us describe and understand complex systems. In the first part, we study the interplay between internal interactions, environmental changes, and…