Related papers: Phase-amplitude functional theory -- new ab initio…
The Schr\"odinger theory of electrons in an external electromagnetic field can be described from the perspective of the individual electron via the `Quantal Newtonian' laws (or differential virial theorems). These laws are in terms of…
We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a deformed crystal back to geometrically undeformed structure…
Explicit analytic expressions are derived for the effective-range function for the case when the interaction is represented by a sum of the short-range square-well and long-range Coulomb potentials. These expressions are then transformed…
A simple, physically motivated, scaling hypothesis, which becomes exact in important limits, yields estimates for the ground-state energy of large, composed, systems in terms of the ground-state energy of its building blocks. The concept is…
The amplitude-phase formulation of the Schr\"{o}dinger equation is investigated within the context of uncoupled Ermakov systems, whereby the amplitude function is given by the auxiliary nonlinear equation. The classical limit of the…
Quantum mechanical many-electron calculations can predict properties of atoms, molecules and even complex materials. The employed computational methods play a quintessential role in many scientifically and technologically relevant research…
For a general two-body bound state in quantum mechanics, both in the stable and decaying cases, we establish a way to extract its two-body wave function in momentum space from the scattering amplitude of the constituent two particles. For…
Electronic structure calculations for solids based on many-electron wavefunctions have been hampered by the argument that for large electron numbers wavefunctions are not a legitimate scientific concept, because they face an exponential…
We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…
A basis set expansion is employed to calculate spectra and eigenstates of charge carriers within a toroidal volume characterized by major radius $R$ and minor radius $a$ immersed in an azimuthally symmetric magnetic field. The angular…
We apply, for the first time, an energy dependent Schrodinger equation to describe static properties of heavy quark systems, i.e. charmonium and bottonium. We show that a good description of the eigenstates and reasonable values for the…
The two-band Hubbard model is used to analyze a possibility of a non-uniform charge distribution in a strongly correlated electron system with two types of charge carriers. It is demonstrated that in the limit of strong on-site Coulomb…
With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
We present an exact single-electron picture that describes the correlated electron dynamics in strong laser fields. Our approach is based on the factorization of the electronic wavefunction as a product of a marginal and a conditional…
The grand potential of a system of interacting electrons is considered as a stationary point of a self-energy functional. It is shown that a rigorous evaluation of the functional is possible for self-energies that are representable within a…
The two-body Coulomb scattering problem is solved using the standard complex scaling method. The explicit enforcement of the scattering boundary condition is avoided. Splitting of the scattering wave function based on the Coulomb modified…
The Schr\"odinger equation relates the electron wavefunction and the electric potential, which are emergent physical quantities. At that emergent level, the Schr\"odinger equation is either postulated as a principle of quantum physics or…
The wavefunction of a particle is obtained from its intermediate states and interaction processes considered as happening concurrently. When the interaction is described by a potential, the energy of the particle is equal to its total…
The width of the distribution of species in a polydisperse system is employed in a small-variable expansion, to obtain a well-controlled and compact scheme by which to calculate phase equilibria in multi-phase systems. General and universal…