Related papers: Two-electron wavefunctions are matrix product stat…
The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…
We derive a non-empirical, orbital-free density functional for the total energy of interacting electrons in two dimensions. The functional consists of a local formula for the interaction energy, where we follow the lines introduced by Parr…
The Faddeev equations for the three body bound state are solved directly as three dimensional integral equation without employing partial wave decomposition. The numerical stability of the algorithm is demonstrated. The three body binding…
An exactly solvable position-dependent mass Schr\"odinger equation in two dimensions, depicting a particle moving in a semi-infinite layer, is re-examined in the light of recent theories describing superintegrable two-dimensional systems…
We study transport equations for quantum many-particle systems in terms of correlations by applying the general formalism developed in an earlier paper to exactly soluble electron-phonon models. The one-dimensional models considered are the…
We consider a model Hamiltonian for a dimer including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term, and an electron-phonon coupling of the Holstein type. The bare…
Dual electrodynamics and corresponding Maxwell's equations (in the presence of monopole only) are revisited from dual symmetry and accordingly the quaternionic reformulation of field equations and equation of motion is developed in simple,…
We demonstrate the utility of a spectral approximation to fermion loop operators using low-lying eigenmodes of the hermitian Dirac-Wilson matrix, Q. The investigation is based on a total of 400 full QCD vacuum configurations, with two…
A new approach is proposed to assess the reliability of the truncated wavefunction methods by estimating the deviation from the full configuration interaction (FCI) wavefunction. While typical multireference diagnostics compare some derived…
Confined states of an electron-positron pair in the spherical quantum dot (QD) are theoretically investigated in three size-quantization (SQ) regimes: strong, weak and intermediate. In the strong SQ regime, analytical expressions for the…
Capacitive mixing (CAPMIX) and capacitive deionization (CDI) are promising candidates for harvesting clean, renewable energy and for the energy efficient production of potable water, respectively. Both CAPMIX and CDI involve water-immersed…
We investigate spin and orbital states of the two-orbital Hubbard model on a square lattice by using a variational Monte Carlo method at quarter-filling, i.e., the electron number per site is one. As a variational wave function, we consider…
Starting from the semirelativistic Hamiltonian for a doubly heavy baryon system ($QQq$) with Coulomb and linear confining scalar potentials, and operating the naive Foldy-Wouthuysen-Tani transformation on two heavy quarks, I construct a…
We present an algebraic approach for finding exact solutions of the wave equation. The approach, which is referred to as the Tridiagonal Representation Approach (TRA), is inspired by the J-matrix method and based on the theory of orthogonal…
We present an implementation of a continuous matrix product state for two-component fermions in one-dimension. We propose a construction of variational matrices with an efficient parameterization that respects the translational symmetry of…
Analytic energy gradients are presented for a variational two-electron reduced-density-matrix-driven complete active space self-consistent field (v2RDM-CASSCF) procedure that employs the density-fitting (DF) approximation to the…
Effective elastic moduli for 3D solid-solid phononic crystals of arbitrary anisotropy and oblique lattice structure are formulated analytically using the plane-wave expansion (PWE) method and the recently proposed monodromy-matrix (MM)…
We construct a wavefunction, generalizing the well known Moore-Read Pfaffian, that describes spinless electrons at filling fraction nu=2/5 (or bosons at filling fraction nu=2/3) as the ground state of a very simple three body potential. We…
Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their…
A summary is presented of the properties of the coefficient matrices formed by expanding the two-body reduced density matrix in a complete set of two-electron wave functions. Calculating the relationship between the many electron wave…