相关论文: Quantum Stress Focusing in Descriptive Chemistry
A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are…
In a previous paper, we pointed out how a dimensional analysis of the stress-energy tensor of the gravitational field allows to derive the field equation of General Relativity. In this note, we comment an analogous reasoning in presence of…
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…
We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on particle-density but also on any other observable. We…
In time-dependent density-functional theory, exchange and correlation (xc) beyond the adiabatic local density approximation can be described in terms of viscoelastic stresses in the electron liquid. In the time domain, this leads to a…
The act of describing how a physical process changes a system is the basis for understanding observed phenomena. For quantum-mechanical processes in particular, the affect of processes on quantum states profoundly advances our knowledge of…
The mean value of the stress-energy tensor of a given quantum field theory at global thermodynamic equilibrium in a curved space-time can be expressed in terms of the derivatives of the Killing four-temperature field and the derivatives of…
Quantum probing is the art of exploiting simple quantum systems interacting with a complex environment to extract precise information about some environmental parameters, e.g. the temperature of the environment or its spectral density. Here…
Drawing on the theory of quantum mechanical stress, we introduce the stress density in density functional theory. In analogy with the Chetty-Martin energy density, the stress density provides a spatial resolution of the contributions to the…
A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of…
The continuous spontaneous localization (CSL) theory of dynamical wave function collapse is an experimentally testable alternative to non-relativistic quantum mechanics. In it, collapse occurs because particles interact with a classical…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
The hydrodynamic formulation of quantum mechanics is used to elucidate the mechanism for decoherence, the suppression of interference effects in a system evolving from an initial coherent superposition. Analysis of time-dependent trajectory…
The new scheme employed (throughout the thermodynamic phase space), in the statistical thermodynamic investigation of classical systems, is extended to quantum systems. Quantum Nearest Neighbor Probability Density Functions are formulated…
I show how the Fermi and Bose pressures in quantum systems, identified in standard discussions through the use of thermodynamic analogies, can be derived directly in terms of the flow of momentum across a surface by using the quantum…
Ongoing experimental efforts to measure with unprecedented precision electron-capture probabilities challenges the current theoretical models. The short range of the weak interaction necessitates an accurate description of the atomic…
A canonical quantization scheme for localized surface plasmons (LSPs) in a metal nanosphere is presented based on a microscopic model composed of electromagnetic fields, oscillators that describe plasmons, and a reservoir that describes…
In practical implementations of density-functional theory, the only term where an orbital description is needed is the kinetic one. Even this term in principle depends on the density only, but its explicit form is unknown. We provide a…
The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…
A covariant description of quantum matter fields in the early universe underpins models for the origin of species, e.g. baryogenesis and dark matter production. In nearly all cases the relevant cosmological observables are computed in a…