相关论文: Unique Quantum Stress Fields

A two-step unified framework for the evaluation of continuum field expressions from molecular simulations for arbitrary interatomic potentials is presented. First, pointwise continuum fields are obtained using a generalization of the…

Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…

Quantum-mechanically-driven charge polarization and charge transfer are ubiquitous in biomolecular systems, controlling reaction rates, allosteric interactions, ligand-protein binding, membrane transport, and dynamically-driven structural…

Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…

Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomic systems. Simulation techniques based on first principles, such as Density Functional…

Quantum Field Theory (QFT) developed in Rindler space-time and its thermal properties are analyzed by means of quantum groups approach. The quantum deformation parameter, labelling the unitarily inequivalent representations, turns out to be…

In this paper, we introduce a methodology applicable to a wide range of localized two-dimensional sources of stress. This methodology is based on a geometric formulation of elasticity. Localized sources of stress are viewed as singular…

Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…

By using the quantum Ising chain as a test bed and treating the spin polarization along the external transverse field as the "generalized density", we examine the performance of different levels of density functional approximations parallel…

The glass transition of a hard sphere system is investigated within the framework of the density functional theory (DFT). Molecular dynamics (MD) simulations are performed to study dynamical behavior of the system on the one hand and to…

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

The self-field approach to quantum electrodynamics (QED) is used to study the bound state problem in light-front two-dimensional QED with massive matter fields. A composite matter field describing bound states is introduced and the…

Quantized vortices carry the angular momentum in rotating superfluids, and are key to the phenomenon of quantum turbulence. Advances in ultra-cold atom technology enable quantum turbulence to be studied in regimes with both experimental and…

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…

We study the dynamics of entanglement entropy for weakly excited states in conformal field theories by using the AdS/CFT. This is aimed at a first step to find a counterpart of Einstein equation in the CFT language. In particular, we point…

We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…

Within the framework of relativistic quantum field theory, a novel method is established which allows to distinguish non-equilibrium states admitting locally a thermodynamic interpretation. The basic idea is to compare these states with…

We propose a model for a finite-size particle detector, which allows us to derive its stress-energy tensor. This tensor is obtained from a covariant Lagrangian that describes not only the quantum field that models the detector,…

A strict bidimensional (strict-2D) exact-exchange (EE) formalism within the framework of density-functional theory (DFT) has been developed and applied to the case of an electron gas subjected to a strong perpendicular magnetic field, that…