Related papers: The ground state of the carbon atom in strong magn…
The present work describes the equilibrium configuration of the ozone molecule studied using the Hartree-Fock (HF), Moller-Plesset second order (MP2), Configuration interaction (CI), and Density functional theory (DFT) calculations. With…
We study the predictions of three mean-field theoretical approaches in the description of the ground state properties of some spherical nuclei far from the stability line. We compare binding energies, single particle spectra, density…
Extensive self-consistent multi-configuration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $3s^2 3p^6 3d^k$ ($k=1-9$) ground configurations of highly charged ions ($Z=72-83$). Complete and consistent data sets of…
Variational, nonrelativisitic energies have been calculated for the ground state ($^3P_g$) and the lowest quintuplet state ($^5S_u$) of the carbon atom, with wavefunctions expressed in the basis of symmetry-projected, explicitly correlated…
Spin-crossover molecules having a low-spin ground state and a low-lying excited high-spin state are promising components for molecular electronics. We theoretically examine one-dimensional spin-crossover chain molecules of the type of Fe-II…
We compute the energy spectrum of the ground state of a 2D Dirac electron in the presence of a Coulomb potential and a constant magnetic field perpendicular to the plane where the the electron is confined. With the help of a mixed-basis…
The equation of state of neutron matter is affected by the presence of a magnetic field due to the intrinsic magnetic moment of the neutron. Here we study the equilibrium configuration of this system for a wide range of densities,…
The ground state of the stacked triangular antiferromagnet CsFeBr$_3$ is a spin singlet due to the large single ion anisotropy $D(S^z)^2$. The field-induced magnetic ordering in this compound was investigated by the magnetic susceptibility,…
The ground state of the U-Mo system is studied in this work using an evolutionary algorithm coupled with \textit{ab initio} calculations. This methodology is applied to several compositions, with a more detailed examination at the U-rich…
We consider a spin-1 Bose-Einstein condensate trapped in a harmonic potential under the influence of a homogeneous magnetic field. We investigate spatial and spin structure of the mean-field ground states under constraints on the number of…
Optimum ground states are constructed in two dimensions by using so called vertex state models. These models are graphical generalizations of the well-known matrix product ground states for spin chains. On the hexagonal lattice we obtain a…
We study the Hartree ground state of a dipolar condensate of atoms or molecules in an three-dimensional anisotropic geometry and at T=0. We determine the stability of the condensate as a function of the aspect ratios of the trap frequencies…
Well controlled and highly stable magnetic fields are desired for a wide range of applications in physical research, including quantum metrology, sensing, information processing, and simulation. Here we introduce a low-cost hybrid assembly…
A detailed study of the lowest states $1s_0, 2p_{-1}, 2p_0$ of the hydrogen atom placed in a magnetic field $B\in(0-4.414\times 10^{13} {\rm G})$ and their electromagnetic transitions ($1s_{0} \leftrightarrow 2p_{-1}$ and $ 1s_{0}…
We study the nearest-neighbor Heisenberg antiferromagnet on a face-centered cubic lattice with arbitrary spin S. The model exhibits degenerate classical ground states including two collinear structures AF1 and AF3 described by different…
We search for the uniform Hartree-Fock ground state of the two-dimensional electron gas formed in semiconductor heterostructures including the Rashba spin-orbit interaction. We identify two competing quantum phases: a ferromagnetic one with…
Amorphous carbon (a-C) formed under energetic atom deposition and by cooling of a melt by MD simulations in a wide $P,T$-range is investigated. Simulations of a-C formation with atomic beam deposition reveal a sharp GLC-to-DLC transition…
We report on a numerical study of the density matrix functional introduced by Lieb, Solovej and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes {\em exactly} the quantum mechanical ground…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
We explore correlated electron states in harmonically confined few-electron quantum dots in an external magnetic field by the path-integral Monte Carlo method for a wide range of the field and the Coulomb interaction strength. Using the…