Related papers: Characterizing a configuration interaction excited…
A study of the first excited states of beryllium atom starting from explicitly correlated wave functions is carried out. Several properties are obtained and discussed focusing on the analysis of the Hund's rules in terms of the…
The thermodynamic properties of two-component Fermi gases with divergent scattering length is investigated and the transition temperature for the emergence of a stable dimeric gas is obtained by a simple theoretical model where the unique…
We investigate pairing and quantum phase transitions in the one-dimensional two-component Fermi atomic gas in an external field. The phase diagram, critical fields, magnetization and local pairing correlation are obtained analytically via…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
We investigate classes of interacting systems that allow for a mapping to disordered noninteracting systems. As we show, such a mapping is possible for interacting systems with a suppressed density of states at the chemical potential,…
Variational Monte Carlo wave functions, obtained from a realistic Hamiltonian consisting of the Argonne v18 two-nucleon and Urbana-IX three-nucleon interactions, are used to calculate the 6Li ground-state longitudinal and transverse form…
We employ diagrammatic Monte Carlo simulations to establish criteria for the stability of line-node semimetals in the presence of Coulomb interactions. Our results indicate a phase transition to a chiral insulating state that occurs at a…
Phase transitions are emergent phenomena where microscopic interactions drive a disordered system into a collectively ordered phase. Near the boundary between two phases, the system can exhibit critical, scale-invariant behavior. Here, we…
We report quantum Monte Carlo calculations of electromagnetic transitions in 8Be. The realistic Argonne v18 two-nucleon and Illinois-7 three-nucleon potentials are used to generate the ground state and nine excited states, with energies…
We consider a quantum dot embedded in a three-dimensional nanowire with tunable aspect ratio a. A configuration interaction theory is developed to calculate the energy spectra of the finite 1D quantum dot systems charged with two electrons…
We develop a quantum Monte Carlo method to estimate the ground-state energy of a fermionic many-particle system in the configuration-interaction shell model approach. The fermionic sign problem is circumvented by using a guiding wave…
We consider pairing in a three-component gas of degenerate fermions. In particular, we solve the finite temperature mean-field theory of an interacting gas for a system where both interaction strengths and fermion masses can be unequal. At…
In low-temperature high-density plasmas quantum effects of the electrons are becoming increasingly important. This requires the development of new theoretical and computational tools. Quantum Monte Carlo methods are among the most…
Striving to define very accurate vertical transition energies, we perform both high-level coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction (sCI) calculations (up to several millions of determinants)…
We study the dynamics of the chiral phase transition in a linear quark-meson $\sigma$ model using a novel approach based on semiclassical wave-particle duality. The quarks are treated as test particles in a Monte-Carlo simulation of elastic…
The beginning of the application of the method of interacting configurations in the complex number representation to the compound atomic systems has been presented. The spectroscopic characteristics of the Be atom in the problem of the…
Two-electron states bound to donors in silicon are important for both two qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multi-electron exchange and…
We study pairing of an interacting three component Fermi gas in two dimensions. By using a mean field theory to decouple the interactions between different pairs of Fermi components, we study the free energy landscapes as a function of…
Transition wavelengths and rates are given for E1, E2, M1, and M2 transitions between singlet and triplet S, P, D, and F states in heliumlike ions of astrophysical interest: carbon, nitrogen, oxygen, neon, silicon, and argon. All possible…
We examine the solvent-mediated interaction between two neutral colloidal particles due to preferential adsorption in a near-critical binary mixture. We take into account the renormalization effect due to the critical fluctuations using the…