Related papers: Ground state properties and shape evolution in Pt …

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…

A path integral ground state approach has been used to estimate the ground-state energy and structural properties of hydrogen fluoride molecules pinned to a one-dimensional lattice. In the simulations, the molecules are assumed to be rigid,…

High-spin rotational bands in rare-earth Er ($Z=68$), Tm ($Z=69$) and Yb ($Z=70$) isotopes are investigated by three different nuclear models. These are (i) the cranked relativistic Hartree-Bogoliubov (CRHB) approach with approximate…

The ground-state energy, the addition energies and the optical absorption spectra are derived for interacting polarons in parabolic quantum dots in three and two dimensions. A path integral formalism for identical particles is used in order…

The paper is an excursus on potential acid-base adducts formed by an unsaturated main group or transition metal species and P atoms of phosphorene (P n ), which derives from the black phosphorus exfoliation. Various possibilities of…

The ground state properties of N=Z doubly closed shell nuclei are studied within correlated basis function theory. A truncated version of the Urbana v14 realistic potential, with spin, isospin and tensor components, is adopted, together…

We consider the semi-relativistic Pauli-Fierz Hamiltonian and a no-pair model of a hydrogen-like atom interacting with a quantized photon field at the respective critical values of the Coulomb coupling constant. For arbitrary values of the…

A new numerical method, recently developed to study ground states of the Falicov-Kimball model (FKM), is used to examine the effects of correlated hopping on the ground-state properties of this model in two dimensions. It is shown that the…

Ground state properties of finite nuclei ($^{16}$O and $^{40}$Ca) are evaluated from realistic nucleon-nucleon interactions. The calculations are based on the Brueckner-Hartree-Fock approximation. Special attention is paid to the role of…

Background: The study of additional terms in functionals is relevant to better describe nuclear structure phenomenology. Among these terms, the tensor one is known to impact nuclear structure properties, especially in neutron-rich nuclei.…

Ground-state properties of exotic even-even nuclei with extreme neutron-to-proton ratios are described in the framework of the self-consistent mean-field theory with pairing formulated in coordinate space. This theory properly accounts for…

We present an ab initio, self consistent density functional theory (DFT) description of ground state electronic and related properties of hexagonal boron nitride (hex-BN). We used a local density approximation (LDA) potential and the linear…

The Zirconium (Z = 40) isotopic chain has attracted interest for more than four decades. The abrupt lowering of the energy of the first $2^+$ state and the increase in the transition strength B(E2; $2_1^\rightarrow 0_1^+$ going from…

Ground-state and magnetocaloric properties of a double-tetrahedral chain, in which nodal lattice sites occupied by the localized Ising spins regularly alternate with triangular clusters half filled with mobile electrons, are exactly…

Using the Hartree-Fock-Bogoliubov (HFB) mean field theory in coordinate space, we investigate ground state properties of the sulfur isotopes from the line of stability up to the two-neutron dripline ($^{34-52}S$). In particular, we…

Spectroscopic properties that characterize the shape phase transitions in krypton isotopes with the mass $A\approx80$ region are investigated within the framework of the nuclear density functional theory. Triaxial quadrupole constrained…

We study the ground state properties of a quasi one dimensional electron gas, interacting via an effective potential with a harmonic transversal confinement and long range Coulomb tail. The exact correlation energy has been calculated for a…

The correlated band theory implemented as a combination of the local density approximation with the exact diagonalization of the Anderson impurity model is applied to PuO$_2$. We obtain an insulating electronic structure consistent with the…

The martensitic {\alpha} --> {\omega} transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of…

Shape coexistence in the $Z \approx 82$ region has been established in mercury, lead and polonium isotopes. Even-even mercury isotopes with $100 \leq N \leq 106$ present multiple fingerprints of this phenomenon, which seems to be no longer…