Related papers: On Eigenvalues and Eigenfunctions Absent in the Ac…

The formation and migration energies for various point defects, including vacancies and self-interstitials in aluminum are reinvestigated systematically using the supercell approximation in the framework of orbital-free density functional…

The object of the present study is the integrated density of states of a quantum particle in multi-dimensional Euclidean space which is characterized by a Schr\"odinger operator with a constant magnetic field and a random potential which…

Unlike the situation for the 1d Dirac delta derivative Schrodinger pseudo potential (SPP) and the 2d Dirac delta SPP, where the indeterminacy originates from a lack of scale in the first and both a lack of scale as well as the wave function…

We used density functional theories (DFT) to investigate the properties of Au2O and Au2O3-x (x = 00.08) to reveal their remarkable functionalities. Hybrid functional theories accurately estimate the band gap (Eg) of oxides, and the present…

In this article we study the semi-classical distribution of complex zeros of the eigenfunctions of the 1D Schr\"odinger operators for the class of polynomial potentials of even degree, when an energy level E is fixed.

We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…

In this paper, we review some of the work our group has done in the past few years to obtain the electron self-energy of high temperature superconductors by analysis of angle-resolved photoemission data. We focus on three examples which…

We calculated all 2967 even and odd bound states of the adiabatic ground state of NO_2, using a modification of the ab initio potential energy surface of Leonardi et al. [J. Chem. Phys. 105, 9051 (1996)]. The calculation was performed by…

Within the theory of Siegert pseudostates, it is possible to accurately calculate bound states and resonances. The energy continuum is replaced by a discrete set of states. Many questions of interest in scattering theory can be addressed…

Given a finitely generated amenable group we consider ergodic random Schr\"odinger operators on a Cayley graph with random potentials and random boundary conditions. We show that the normalised eigenvalue counting functions of finite volume…

We consider scattering waves through truncated periodic potentials with perturbations that support localized gap eigenstates. In a small complex neighborhood around an assumed positive bound state of the model operator, we prove the…

Using purely physical arguments it is claimed that for ID Schrodinger operators with complex PT- Symmatric potentials having a purely real attractive potential well and a purely imaginary repulsive part,bound state eigenvalues will be…

We study a class of potentials $f$ on one sided full shift spaces over finite or countable alphabets, called potentials of product type. We obtain explicit formulae for the leading eigenvalue, the eigenfunction (which may be discontinuous)…

We calculate the energy eigenvalues and eigenstates corresponding to coherent single and multiple excitations of an array of N identical qubits or two-level atoms (TLA's) arranged on the vertices of a regular polygon. We assume only that…

The generalized pseudospectral method is employed to calculate the bound states of Hulth\'en and Yukawa potentials in quantum mechanics, with special emphases on higher excited states and stronger couplings. Accurate energy eigenvalues,…

Matrix elements of potential energy are examined in detail. We consider a model problem - a particle in a central potential. The most popular forms of central potential are taken up, namely, square-well potential, Gaussian, Yukawa and…

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…

We investigate the approximate bound state solutions of the Schr\"odinger equation for the PT-/non-PT-symmetric and non Hermitian Hellmann potential. Exact energy eigenvalues and corresponding normalized wave functions are obtained.…

The polynomial solution of the N-dimensional space Schrodinger equation for a special case of Mie potential is obtained for any arbitrary $% l-state. The exact bound-state energy eigenvalues and the corresponding eigenfunctions are…

We consider the spectral statistics of large random band matrices on mesoscopic energy scales. We show that the two-point correlation function of the local eigenvalue density exhibits a universal power law behaviour that differs from the…