Related papers: Ground-state wavefunction of macroscopic electron …
The Hilbert space for an interacting electron system increases exponentially with electron number $N$. This limits the concept of wavefunctions $\psi$ based on solutions of the Schr\"odinger equation to $N \leq N_0$ with $N_0 \simeq 10^3$…
The dimension of the Hilbert space needed for the description of an interacting electron system increases exponentially with electron number $N$. As pointed out by W. Kohn this exponential wall problem (EWP) limits the concept of…
An alternative to Density Functional Theory are wavefunction based electronic structure calculations for solids. In order to perform them the Exponential Wall (EW) problem has to be resolved. It is caused by an exponential increase of the…
Wavefunctions for large electron numbers suffer from an exponential growth of the Hilbert space which is required for their description. In fact, as pointed out by W. Kohn, for electron numbers $N > N_0$ where $N_0 \approx 10^3$ they become…
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…
In this work we present a new method for basis set generation for electronic structure calculations of crystalline solids. This procedure is aimed at applications to Density Functional Theory (DFT). In this construction, Energy Window…
We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations is introduced which results in an incremental expansion of…
The ground-state wave function and the energy gap are calculated for various layer separations d and for up to 24 electrons by the density matrix renormalization group (DMRG) method. Two-particle distribution function and excitonic…
A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…
We propose an algorithm to obtain the ground-state energy of a many-electron system using the variational wave function of a linear combination of antisymmetrized geminal powers. We optimized this algorithm to obtain the energy and the…
The insulating state of matter is characterized by the excitation spectrum, but also by qualitative features of the electronic ground state. The insulating ground wavefunction in fact: (i) sustains macroscopic polarization, and (ii) is…
The ground state at 4/11 filling factor is very well understood [Phys. Rev. Lett. 112, 016801 (2014)] in terms of the 1/3 filled second effective Landau level of the composite fermions whose correlations resemble with that of electrons in…
We prove the existence of a ground state for some variational problems in Hilbert spaces, following the approach of Berestycki and Lions. Next, we examine the problem of constructing ground state solutions…
In this work we present a new basis set for electronic structures (Density Functional Theory (DFT)) calculations. This basis set extends Soler Williams Linearized Augmented Plane Wave (SLAPW) basis sets by allowing variable Muffin Tin (MT)…
A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis…
We treat a system (a molecule or a solid) in which electrons are coupled linearly to any number and type of harmonic oscillators and which is further subject to external forces of arbitrary symmetry. With the treatment restricted to the…
We propose an explicit construction of the leading terms in the asymptotic expansion of the ground state wave function of BFSS SU(N) matrix quantum mechanics. Our proposal is consistent with the expected factorization property in various…
We construct a set of exact ground states with a localized ferromagnetic domain wall and with an extended spiral structure in a deformed flat-band Hubbard model in arbitrary dimensions. We show the uniqueness of the ground state for the…
The general formulation of a technically advantageous method to find the ground state solution of the Schrodinger equation in configuration space for systems with a number of particles A greater than 4 is presented. The wave function is…
The ground state of a cavity-electron system in the ultrastrong coupling regime is characterized by the presence of virtual photons. If an electric current flows through this system, the modulation of the light-matter coupling induced by…