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The Thomas-Fermi approximation for an atomic wavefunction is used to calculate the interaction of a neutron spin with the atomic electric field, either through motional magnetic (v x E) or possibly electric (due to the possible existence of…
The first and second order form of gauge theories are classically equivalent; we consider the consequence of quantizing the first order form using the Faddeev-Popov approach. Both the Yang-Mills and the Einstein-Hilbert actions are…
We consider interaction effects in quantum point contacts on the first quantization plateau, taking into account all non momentum-conserving processes. We compute low-temperature linear and non-linear conductance, shot noise, and…
We give a perturbation theory of neutrino oscillation in the Earth. The perturbation theory is valid for neutrinos with energy $E \gsim 0.5$ GeV. It is formulated using trajectory dependent average potential. Non-adiabatic contributions are…
Atom-molecule equilibrium for molecular formation processes is discussed for boson-fermion, fermion-fermion, and boson-boson mixtures of ultracold atomic gases in the framework of quasichemical equilibrium theory. After presentation of the…
Recent theories of hot-electron relaxation in dense hydrogen or deuterium are examined in the light of recent molecular-dynamics simulations as well as various theoretical developments within the two-temperature model. The theoretical work…
Linear conductance through a quantum dot is calculated under a finite magnetic field using the modified perturbation theory. The method is based on the second-order perturbation theory with respect to the Coulomb repulsion, but the…
First principles calculations based on density functional theory, with generalised gradient corrections and ultrasoft pseudopotentials, have been used to simulate solid and liquid aluminium in direct coexistence at zero pressure.…
Thermoelectric effects, measured by the Seebeck coefficients, refer to the phenomena in which a temperature difference or gradient imposed across a thermoelectric material induces an electrical potential difference or gradient, and vice…
We present the first calculation for many-electron atoms complete through fourth order of many-body perturbation theory. Owing to an overwhelmingly large number of underlying diagrams, we developed a suite of symbolic algebra tools to…
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate…
A two-time quantum theory of a system of two particles with the direct electromagnetic interaction based on a quantum version of the action principle is considered. An analog of Schrodinger equation for the system is obtained.
A simple method of variational calculations of the electronic structure of a two-electron atom/ion, primarily near the nucleus, is proposed. The method as a whole consists of a standard solution of a generalized matrix eigenvalue equation,…
A fundamental principle of quantum theory, clearly manifested in the two-slit experiment, is that for any alternatives that cannot be distinguished by measurement physical predictions are obtained by summation of their amplitudes. In…
The accurate determination of electronic temperatures in metallic nanostructures is essential for many technological applications, like plasmon-enhanced catalysis or lithographic nanofabrication procedures. In this Letter we demonstrate…
Atomic heating is a fundamental phenomenon governed by the thermal spike effect during energetic deposition. This work presented another insight into thermal spike using a coupled classical oscillator model instead of a typical heat…
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…
We establish a correspondence between the electric dipole matrix elements of a polyatomic symmetric top molecule in a state with nonzero projection of the total angular momentum on the symmetry axis of the molecule and the magnetic dipole…
The Pauli principle has far-reaching consequences in quantum physics. Here, we investigate, for the first time, its implications, together with nuclear spin isomerism, in polaritonic chemistry. We first present an accurate numerical…
The multiple scattering theory (MST) is one of the most widely used methods in electronic structure calculations. It features a perfect separation between the atomic configurations and site potentials, and hence provides an efficient way to…