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Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…
Field mediated entanglement experiments probe the quantum superposition of macroscopically distinct field configurations. We show that this phenomenon can be described by using a transparent quantum field theoretical formulation of…
Surface modes are coupled electromagnetic/electrostatic excitations of free electrons near the vacuum-plasma interface and can be excited on a sufficiently dense plasma half-space. They propagate along the surface plane and decay in either…
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid,…
A new bosonic, excitonic method for interacting electrons is developed. For two-dimensional electron liquid, it reveals a noncompensated quantum crystal phase ranging from the high density, or vanishing Coulomb interaction, limit: $r_s=0$,…
The development of kinetic energy functional (KEF) is known as one of the most difficult subjects in the electronic density functional theory (DFT). In particular, the sound description of chemical bonds using a KEF is a matter of great…
An atom placed inside a cavity of finite dimension offers many interesting features, and thus has been a topic of great current activity. This work proposes a density functional approach to pursue both ground and excited states of a…
In this note we generalize entropy based on the quantum mechanical probability density distribution. Motivated by J. Munkhammar and the uncertainty of entropy we modified the origin wave function of the test particle. The corrected one…
Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy…
The key features of density-functional theory (DFT) within a minimalistic implementation of quantum electrodynamics are demonstrated, thus allowing to study elementary properties of quantum-electrodynamical density-functional theory…
We propose a new structure of ensembles in quantum theory, based on the recently introduced intrinsic properties of electrons and photons. On this statistical basis the spreading of a wave-packet, collapse of the wave function, the quantum…
We present a derivation of the stress field for an interacting quantum system within the framework of local density functional theory. The formulation is geometric in nature and exploits the relationship between the strain tensor field and…
A new framework is formulated to study entanglement dynamics in many-body quantum systems along with an associated geometric description. In this formulation, called the Quantum Correlation Transfer Function (QCTF), the system's wave…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
Purely quantum electron systems exhibit intriguing correlated electronic phases by virtue of quantum fluctuations in addition to electron-electron interactions. To realize such quantum electron systems, a key ingredient is dense electrons…
In this paper we perform a Quantal Density Functional Theory (Q-DFT) study of the Hydrogen molecule in its ground state.
We consider the quantum field theory for a scalar model of the electromagnetic field interacting with a system of two-level atoms. In this setting, we show that it is possible to uniquely determine the density of atoms from measurements of…
A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…
We study equilibration of quantum Hall edge states at integer filling factors, motivated by experiments involving point contacts at finite bias. Idealising the experimental situation and extending the notion of a quantum quench, we consider…
Given a partition of a large system into an active quantum mechanical (QM) region and its environment, we present a simple way of embedding the QM region into an effective electrostatic potential representing the environment. This potential…