Related papers: Concise configuration interaction expansions for t…
The configuration interaction (CI) method for calculating the exact eigenstates of a quantum-mechanical few-body system is problematic when applied to particles interacting through contact forces. In dimensions higher than one the approach…
We present an extension of the spin-adapted configuration-interaction method for the computation of four electrons in a quasi two-dimensional quantum dot. By a group-theoretical decomposition of the basis set and working with relative and…
We discuss quantum correlations in systems of indistinguishable particles in relation to entanglement in composite quantum systems consisting of well separated subsystems. Our studies are motivated by recent experiments and theoretical…
Representing a strongly interacting multi-particle wave function in a finite product basis leads to errors. Simple rescaling of the contact interaction can preserve the low-lying energy spectrum and long-wavelength structure of wave…
The calculation of realistic N-body wave functions for identical fermions is still an open problem in physics, chemistry, and materials science, even for N as small as two. A recently discovered fundamental algebraic structure of many-body…
The configuration interaction (CI) is a versatile wavefunction theory for interacting fermions but it involves an extremely long CI series. Using a symmetric tensor decomposition (STD) method, we convert the CI series into a compact and…
We investigate the structure of the one-body Reduced Density Matrix (1RDM) of three electron systems, i.e. doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this…
We introduce and benchmark a systematically improvable route for excited-state calculations, state-specific configuration interaction ($\Delta$CI), \alert{which is a particular realization of multiconfigurational self-consistent field and…
We report an investigation of the structure of $^{12}$C nucleus employing a newly developed configuration-mixing method. In the three-dimensional coordinate-space representation, we generate a number of Slater determinants with various…
In the present paper we are interested in analyzing the pairwise entanglement in quantum dots, as ququart systems, naturally described by the Fermi-Hubbard model. Using the lower bound of concurrence we show the effect of the Coulomb…
We study the problem of three ultracold fermions in different hyperfine states loaded into a lattice with spatial dimension D=1,2. We consider SU(3)-symmetric attractive interactions and also eventually include a three-body constraint,…
We show that a 2-dimensional system of N fermions interacting through a pairwise electric and magnetic singular interactions with Slater initial data preserves its Slater structure over time when N gets large. In other words, the wave…
In this paper, we develop a class of antisymmetrized geminal power configuration interaction (AGP-CI) wave functions that extend the AGP framework by incorporating inter-geminal correlations through a CI expansion. To make these…
We analyze device-dependent correlation sets generated by fixed local dichotomic measurements for two-qubit systems in the $(2,m,2)$ Bell scenario. We consider three fundamental state spaces for the composite system: the separable state…
We employ a tight-binding parametrization based on the Slater Koster model in order to fit the band structures of single-layer, bilayer and bulk black phosphorus obtained from first-principles calculations. We find that our model, which…
Zero-seniority methods have shown great promise for the description of strongly-correlated electronic systems. Other seniority sectors have been much less explored, and in particular the maximal seniority sector and zero seniority have the…
Motivated by the ability of triangular spin ladders to implement quantum information processing, we propose a type of such systems whose Hamiltonian includes the XX Heisenberg interaction on the rungs and DzyaloshinskiiMoriya (DM) coupling…
The widely used large-scale diagonalization method using harmonic oscillator basis functions (an instance of the Rayleigh-Ritz method, also called a spectral method, configuration-interaction method, or ``exact diagonalization'' method) is…
We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the seniority number (i.e., the number of unpaired electrons)…
Using a generalization of Cayley's hyperdeterminant as a new measure of tripartite fermionic entanglement we obtain the SLOCC classification of three-fermion systems with six single particle states. A special subclass of such three-fermion…