Related papers: Wavefunctions for large electronic systems
If one analyzes the effects of electromagnetic vacuum fluctuations upon an electron interference pattern in an approximation in which the electrons follow classical trajectories, an ultraviolet divergence results. It is shown that this…
We review the progress in atomic structure theory with a focus on superheavy elements and the aim to predict their ground state configuration and element's placement in the periodic table. To understand the electronic structure and…
Density functional theory (DFT) has become a basic tool for the study of electronic structure of matter, in which the Hohenberg-Kohn theorem plays a fundamental role in the development of DFT. Unfortunately, the existing proofs are…
We present a wavefunction-based approach to correlated ab initio calculations on crystalline insulators of infinite extent. It uses the representation of the occupied and the unoccupied (virtual) single-particle states of the infinite solid…
Observed angular positions and redshifts of large-scale structure tracers such as galaxies are affected by gravitational waves through volume distortion and magnification effects. Thus, a gravitational wave background can in principle be…
Many strongly correlated states, such as those arising in the fractional quantum Hall effect and spin liquids, are described by wave functions obtained by dividing particles into multiple clusters, constructing a readily evaluable wave…
Wavefunction collapse is usually seen as a discontinuous violation of the unitary evolution of a quantum system, caused by the observation. Moreover, the collapse appears to be nonlocal in a sense which seems at odds with General…
It is shown here that Kohn-Sham equations cannot be derived from Hohenberg-Kohn theory without an additional postulate. Assuming that a functional derivative with respect to total electron density exists leads in general to a theory…
Deformation quantization is a powerful tool to quantize some classical systems especially in noncommutative space. In this work we first show that for a class of special Hamiltonian one can easily find relevant time evolution functions and…
Four problematic circumstances are considered, involving models which describe dynamical wavefunction collapse toward energy eigenstates, for which it is shown that wavefunction collapse of macroscopic objects does not work properly. In one…
It is shown that in adiabatic approximation for nuclei the many-component Coulomb system cannot be described on the basis of the grand canonical ensemble. Using the variational Bogolyubov's procedure for the free energy, the Hohenberg-Kohn…
The nature of statistics, statistical mechanics and consequently the thermodynamics of stochastic systems is largely determined by how the number of states $W(N)$ depends on the size $N$ of the system. Here we propose a scaling expansion of…
We study a semi-classical Schr{\"o}dinger equation which describes the dynamics of an electron in a crystal in the presence of impurities. It is well-known that under suitable assumptions on the initial data, the wave function can be…
Coupled Maxwell and time-dependent orbital-free calculations are implemented and tested to describe the interaction of electromagnetic waves and matter. The currents and induced fields predicted by the orbital-free calculations are compared…
The field-theoretic wavefunction has received renewed attention with the goal of better understanding observables at the boundary of de Sitter spacetime and studying the interior of Minkowski or general FLRW spacetime. Understanding the…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
The quantum evolution of the Wigner function for Gaussian wave packets generated by a non-Hermitian Hamiltonian is investigated. In the semiclassical limit $\hbar\to 0$ this yields the non-Hermitian analog of the Ehrenfest theorem for the…
In this paper we investigate the gravitational waves emission by stellar dynamical structures as complex systems in the quadrupole approximation considering bounded and unbounded orbits. Precisely, after deriving analytical expressions for…
General theorem describing a relation between diagonal of one-electron density matrix and a certain class of many-electron ensembles of determinant states is proved. As a corollary to this theorem a constructive proof of sufficiency of…
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…