相关论文: Quantum Stress Focusing in Descriptive Chemistry
The stress tensor for the quantized electromagnetic field is calculated in the region between a pair of dispersive, dielectric half-spaces. This generalizes the stress tensor for the Casimir energy to the case where the boundaries have…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
A new experimental approach is introduced to investigate the relaxation of the nuclear deformation degrees of freedom. Highly excited fissioning systems with compact shapes and low angular momenta are produced in peripheral relativistic…
We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite element bases. Our mesh generation scheme, in which structured…
To account for phenomenological theories and a set of invariants, stress and strain are usually decomposed into a pair of pressure and deviatoric stress and a pair of volumetric strain and deviatoric strain. However, the conventional…
Without wasting time and effort on philosophical justifications and implications, we write down the conditions for the Hamiltonian of a quantum system for rendering it mathematically equivalent to a deterministic system. These are the…
In quantum physics, the density operator completely describes the state. Instead, in classical physics the mean value of every physical quantity is evaluated by means of a probability distribution. We study the possibility to describe pure…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
An overview of quantum-mechanical methods to generate cross-section data for electron collisions with atoms and molecules is presented. Particular emphasis is placed on the time-independent close-coupling approach, since it is particularly…
Particles bound to an interface interact because they deform its shape. The stresses that result are fully encoded in the geometry and described by a divergence-free surface stress tensor. This stress tensor can be used to express the force…
The binding and trapping of particles usually rely on conservative forces, described by unitary quantum dynamics. We show that both can also arise solely from spatially dependent dephasing, the simplest type of decoherence. This can be…
We propose a simple approach for studying systems of compressed matter based on the Thomas-Fermi statistical model of single atom. The central point of our work is the development of the concept of ``statistical ionization'' by compression;…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment…
Quantum tomography is a method to experimentally extract all that is observable about a quantum mechanical system. We introduce quantum tomography to collider physics with the illustration of the angular distribution of lepton pairs. The…
Chemical bonding is a nonlocal phenomenon that binds atoms into molecules. Its ubiquitous presence in chemistry, however, stands in stark contrast to its ambiguous definition and the lack of a universal perspective for its understanding. In…
We shed new light on entanglement measures in multipartite quantum systems by taking a computational-complexity approach toward quantifying quantum entanglement with two familiar notions--approximability and distinguishability. Built upon…
Relevant algebraic structures for the description of Quantum Mechanics in the Heisenberg picture are replaced by tensorfields on the space of states. This replacement introduces a differential geometric point of view which allows for a…
Electromagnetic properties of a simple polarisable medium may be parameterised in terms of a constitutive tensor whose properties can in principle be determined by experiments in non-inertial (accelerating) frames and in the presence of…
Using multiple scattering theory, we derived for the first time analytical formulas for electrostrictive tensors for two dimensional metamaterial systems. The electrostrictive tensor terms are found to depend explicitly on the symmetry of…