相关论文: Electronegativity Scale from Path Integral Formula…

We study the scale function of the spectrally negative phase-type Levy process. Its scale function admits an analytical expression and so do a number of its fluctuation identities. Motivated by the fact that the class of phase-type…

Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…

We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…

We report on the observation of negative electronic compressibility in twisted bilayer graphene for Fermi energies close to insulating states. To observe this negative compressibility, we take advantage of naturally occurring twist angle…

We derive an analytical expression for the scattering of a scalar wave from a perfectly conducting self-affine one dimensional surface in the framework of the Kirchhoff approximation. We show that most of the results can be recovered via a…

We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its high accuracy. Further comparison with all-electron…

A linear scale method for calculating electronic properties of large and complex systems is introduced within a local density approximation. The method is based on the Chebyshev polynomial expansion and the time-dependent method, which is…

We estimate the density and its derivatives using a local polynomial approximation to the logarithm of an unknown density $f$. The estimator is guaranteed to be nonnegative and achieves the same optimal rate of convergence in the interior…

A previous work found that a nonminimally coupled theory of gravity can, under appropriate conditions, give rise to an additional contribution to the field equations interpreted as dark matter [1]: in particular, the density of this dark…

A fully analytic statistical formalism does not yet exist to describe radio-wavelength measurements of linearly polarized intensity that are produced using rotation measure synthesis. In this work we extend the analytic formalism for…

We explore inequality constraints as a new tool for numerically evaluating Feynman integrals. A convergent Feynman integral is non-negative if the integrand is non-negative in either loop momentum space or Feynman parameter space. Applying…

Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…

The coherent reflectivity of a dense, relativistic, ultra-thin electron layer is derived analytically for an obliquely incident probe beam. Results are obtained by two-fold Lorentz transformation. For the analytical treatment, a plane…

Relying on the redefined vacuum state approach, and based on one-particle three-loop Feynman diagrams, partial third-order interelectronic corrections to the valence electron energy shift are investigated in Li-like ions. The idea is to…

Nuclear level density is calculated with the combinatorial method based on the relativistic density functional theory including pairing correlations. The Strutinsky method is adopted to smooth the total state density in order to refine the…

We introduce the notion of electronic enthalpy for first-principles structural and dynamical calculations of finite systems under pressure. An external pressure field is allowed to act directly on the electronic structure of the system…

We revisit the path integral description of the motion of a relativistic electron. Applying a minor but well motivated conceptional change to Feynman's chessboard model, we obtain exact solutions of the Dirac equation. The calculation is…

A new model for the electrical conductivity of dense plasmas with a mixture of ion species, containing no adjustable parameters, is presented. The model takes the temperature, mass density and relative abundances of the species as input. It…

We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…

In the Ziman-Evans formulation, the electrical resistivity involves several quantities like the plasma mean ionization and chemical potential, the electron-ion scattering cross-section, the ion-ion structure factor, and the derivative of…