Related papers: Occupation numbers of spherical orbits in self-con…
The spatial dispersion of the single-nucleon wave functions is analyzed using the self-consistent mean-field framework based on nuclear energy density functionals, and with the harmonic oscillator approximation for the nuclear potential. It…
A novel approach is suggested for the statistical description of quantum systems of interacting particles. The key point of this approach is that a typical eigenstate in the energy representation (shape of eigenstates, SE) has a well…
We have performed calculations based on the Skyrme energy density functional (EDF) that includes arbitrary mixing between protons and neutrons. In this framework, single-particle states are generalized as mixtures of proton and neutron…
We study the interplay of quadrupole and octupole degrees of freedom in the structure of the isotope $^{144}$Ba. A symmetry conserving configuration mixing method (SCCM) based on a Gogny energy density functional (EDF) has been used. The…
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
The construction of stable, conservative, and accurate volume dissipation is extended to discretizations that possess a generalized summation-by-parts (SBP) property within a tensor-product framework. The dissipation operators can be…
The generalized pseudospectral method is employed for the accurate calculation of eigenvalues, densities and expectation values for the spiked harmonic oscillators. This allows \emph{nonuniform} and \emph{optimal} spatial discretization of…
A set of theoretical results [1-10] is reviewed, which concern calculations of energy spectra, density of energy levels, spin polarization, transport and optical properties (infrared absorption, luminescence) of semiconductor quantum dots…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
We present a novel nuclear energy density functional method to calculate spectroscopic properties of atomic nuclei. Intrinsic nuclear quadrupole deformations and rotational frequencies are considered simultaneously as the degrees of freedom…
The issue of orbital relaxation in computational core-hole spectroscopy, specifically x-ray absorption, has been a major problem for methods such as equation-of-motion coupled cluster with singles and doubles (EOM-CCSD). The…
The $\alpha$-bosonic properties such as single-$\alpha$ orbits and occupation numbers in $J^\pi$=$0^+$, $2^+$, $1^-$ and $3^-$ states of $^{12}$C around the $3\alpha$ threshold are investigated with the semi-microscopic $3\alpha$ cluster…
The natural orbitals and natural occupation numbers of various N = Z, sp and sd shell nuclei are calculated by applying a correlated one-body density matrix. The correlated density matrix has been evaluated by considering central…
We present a method to calculate spectroscopic properties of odd-odd nuclei within the framework of the Interacting Boson-Fermion-Fermion Model based on the Gogny energy density functional. The $(\beta,\gamma)$-deformation energy surface of…
We present calculations of ground state properties of spherical, doubly closed-shell nuclei from $^{16}$O to $^{208}$Pb employing the techniques of many-body perturbation theory using a separable density dependent monopole interaction. The…
We numerically calculate the configurational entropy S_conf of a binary mixture of hard spheres, by using a perturbed Hamiltonian method trapping the system inside a given state, which requires less assumptions than the previous methods…
A many body Hamiltonian comprising pairing, quadrupole-quadrupole and spin-spin interaction is treated within a projected spherical basis with the aim of describing the detailed structure of the magnetic states of orbital and spin-flip…
A microscopic method for calculating nuclear level densities (NLD) is developed, based on the framework of energy density functionals. Intrinsic level densities are computed from single-quasiparticle spectra obtained in a finite-temperature…
The recently observed high-spin rotational bands in odd-$A$ nuclei $^{247, 249}$Cm and $^{249}$Cf [Tandel \textit{et al.}, Phys. Rev. C 82 (2010) 041301R] are investigated by using the cranked shell model (CSM) with the pairing correlations…
The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…