Related papers: Dynamical pseudopotentials
Electronic stopping power in the \(\mathrm{keV/\AA}\) range is accurately calculated from first principles. The energy loss to electrons in self-irradiated nickel, a paradigmatic transition metal, using real-time time-dependent density…
Classical studies as the conservation laws and the radiation fields are investigated in the pseudo-electrodynamics. We explore the action symmetry under infinitesimal transformations to obtain the energy-momentum, the Belinfante-Rosenfeld,…
We present methods for generating computationally simple parameter-free pair potentials useful for solids, liquids and plasma at arbitrary temperatures. They successfully treat warm-dense matter (WDM) systems like carbon or silicon with…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
Integrable systems in low dimensions, constructed through the symmetry reduction method, are studied using phase portrait and variable separation techniques. In particular, invariant quantities and explicit periodic solutions are…
Self-assembly processes provide the means to achieve scalable and versatile metamaterials by "bottom-up" fabrication. Despite their enormous potential, especially as a platform for energy materials, self-assembled metamaterials are often…
A surprising result from the theory of quantum control is the degree to which the properties of a physical system can be manipulated. Both atomic and many-body solid state models admit the possibility of creating a 'driven imposter', in…
In electrostatics, we can use either potential energy or field energy to ensure conservation of energy. In electrodynamics, the former option is unavailable. To ensure conservation of energy, we must attribute energy to the electromagnetic…
Quantum Monte Carlo methods provide in principle an accurate treatment of the many-body problem of the ground and excited states of condensed systems. In practice, however, uncontrolled errors such as those arising from the fixed-node and…
This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…
The pseudopotential theory is extended to the Bogoliubov-de Gennes equations to determine the excess energy when one atom is added to the trapped superfluid Fermi system with even number of atoms. Particular attention is paid to systems…
We present an efficient and robust semi-analytical formulation to compute the electric potential due to arbitrary-located point electrodes in three-dimensional cylindrically stratified media, where the radial thickness and the medium…
Modern physics makes wide use of the equation for which only a potential solution is sought. The probability that this equation has a nonpotential solution is omitted from consideration automatically without any explanation. In this paper,…
Large-scale simulations of plastic deformation and phase transformations in alloys require reliable classical interatomic potentials. We construct an embedded-atom method potential for niobium as the first step in alloy potential…
We establish a set of exact sum rules that relate the interatomic force constants to the frequency-dependent electromagnetic susceptibility of a solid or molecule, thereby generalizing the long-established principles of rototranslational…
Radiation from magnetic and electric dipole moments is a key subject in theory of electrodynamics. Although people treat the problem thoroughly in the context of frequency domain, the problem is still not well understood in the context of…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
Continuum electrodynamics is an axiomatic formal theory based on the macroscopic Maxwell equations and the constitutive relations. We apply the formal theory to a thermodynamically closed system consisting of an antireflection coated block…
The differential capacitance comprises the most relevant thermodynamic information about an electrochemical system. Classical approaches to describe electrochemical capacitance have difficulties to combine the treatment of the ionic…
I provide a pedagogical introduction to the notion of pseudomomentum for waves in a medium, and show how changes in pseudomomentum may sometimes be used to compute real forces. I then explain how these ideas apply to sound waves in a fluid.…