Related papers: New complete orthonormal sets of exponential type …
The new complete orthonormal sets of -Laguerre type polynomials (-LTP,) are suggested. Using Schr\"odinger equation for complete orthonormal sets of -exponential type orbitals (-ETO) introduced by the author, it is shown that the origin of…
The Hartree-Fock-Rothaan equations are solved for He-like ions using the iterative self-consistent method. New complete and orthonormal sets of exponential-type orbitals are employed as the basis. These orbitals satisfy the orthonormality…
The definition for the Slater-type orbitals is generalized. Transformation between an orthonormal basis function and the Slater-type orbital with non-integer principal quantum numbers is investigated. Analytical expressions for the linear…
Using the complete orthonormal sets of radial parts of nonrelativitistic exponential type orbitals (2,1, 0, 1, 2, ...) and spinor type tensor spherical harmonics of rank s the new formulae for the 2(2s+1)-component relativistic spinors…
Complete orthonormal sets of exponential-type orbitals with non-integer principal quantum numbers are discussed as basis functions in non-relativistic Hartree-Fock-Roothaan electronic structure calculations of atoms. A method is proposed to…
We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has…
The set of Gaussian Type Orbitals g(n1,n2,n3) of order (n+1)(n+2)/2, of common n=n1+n2+n3<=7, common center and exponential, is customized to define a set of 2n+1 linear combinations t(n,m) (-n<=m<=n) such that each t(n,m) depends on the…
The essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method are represented with no inherent geometrical approximation.…
Orthogonal Laurent polynomials in the unit circle and the theory of Toda-like integrable systems are connected using the Gauss--Borel factorization of a Cantero-Moral-Velazquez moment matrix, which is constructed in terms of a complex…
By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two-and four-component spinor wave functions, and Slater spinor orbitals…
We prove the existence of a set of two-scale magnetic Wannier orbitals w_{m,n}(r) on the infinite plane. The quantum numbers of these states are the positions {m,n} of their centers which form a von Neumann lattice. Function w_{00}localized…
We introduce O-systems (Definition \ref{DO}) of orthogonal transformations of ${\Bbb R}^{m}$, and establish $1-1$ correspondences both between equivalence classes of Clifford systems and that of O-systems, and between O-systems and…
For zero energy, $E=0$, we derive exact, classical solutions for {\em all} power-law potentials, $V(r)=-\gamma/r^\nu$, with $\gamma>0$ and $-\infty <\nu<\infty$. When the angular momentum is non-zero, these solutions lead to the orbits…
Using the complete orthonormal basis sets of nonrelativistic and quasirelativistic orbitals introduced by the author in previous papers for particles with arbitrary spin the new analytical relations for the -component relativistic tensor…
We present a general semiclassical theory of the orbital magnetic response of noninteracting electrons confined in two-dimensional potentials. We calculate the magnetic susceptibility of singly-connected and the persistent currents of…
A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multi-configurational self-consistent field calculation…
In a classical case, orthogonal polynomial sequences are in such a way that the $ n $th polynomial has the exact degree $n$. Such sequences are complete and form a basis of the space for any arbitrary polynomial. In this paper, we introduce…
We develop further the concept of generalized extended momentum operator (GEMO), which has been introduced very recently in \citep{M.H2}, and propose the so called $\mathcal{PT}$-symmetric GEMO. In analogy with GEMO, the…
We study different types of solitons of a generalized nonlinear Schr\"odinger equation (GNLSE) that models optical pulses traveling down an optical waveguide with quadratic as well as quartic dispersion. A traveling-wave ansatz transforms…
The series expansion formulae are established for the one- and two-center charge densities over complete orthonormal sets of exponential type orbitals introduced by the author. Three-center overlap integrals of appearing in these relations…