Related papers: Energy approximation for some double phase functio…
An efficient numerical quadrature is proposed for the approximate calculation of the potential energy in the context of pseudo potential electronic structure calculations with Daubechies wavelet and scaling function basis sets. Our…
We present an approximation scheme for the calculation of the principal excitation energies and transition moments of finite many-body systems. The scheme is derived from a first order approximation to the self energy of a recently proposed…
A simple expression for a ground state energy for a two-electron atom is derived. For this, assumption based upon the Niels Bohr ''old'' quantum mechanics idea about electron correlation in a two-electron atom is exploited. Results are…
A second order extrapolation method is presented for shell model calculations, where shell model energies of truncated spaces are well described as a function of energy variance by quadratic curves and exact shell model energies can be…
We discuss the extrema of the Two Higgs Doublet Model with different physical properties. We have found necessary and sufficient conditions for realization of the extrema with different properties as the vacuum state of the model. We found…
Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate…
We consider the characteristics of nonlinear energy conditions and of quantum extensions of these and the usual energy conditions. We show that they are satisfied by some quantum vacuum states that violate the usual energy conditions.
We study the resonances of a two-by-two semiclassical system of one dimensional Schr\"odinger operators, near an energy where the two potentials intersect transversally, one of them being bonding, and the other one anti-bonding. Assuming…
We study the properties of convex functionals which have been proposed for the simulation of charged molecular systems within the Poisson-Boltzmann approximation. We consider the extent to which the functionals reproduce the true…
A method is presented which allows the exact construction of conserved (i.e. divergence-free) current vectors from appropriate sets of multipole moments. Physically, such objects may be taken to represent the flux of particles or electric…
The exact form of the kinetic energy functional has remained elusive in orbital-free models of density functional theory (DFT). This has been the main stumbling block for the development of a general-purpose framework on this basis. Here,…
Advantages of introducing the electron structure function in electron induced processes are demonstrated. At present energies the same experiment gives more precise description of the electron than photon structure. The momentum scales…
We introduce a quantum phase space representation for the orientation state of extended quantum objects, using the Euler angles and their conjugate momenta as phase space coordinates. It exhibits the same properties as the standard Wigner…
Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…
A simple, physically motivated, scaling hypothesis, which becomes exact in important limits, yields estimates for the ground-state energy of large, composed, systems in terms of the ground-state energy of its building blocks. The concept is…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
In the present study we investigate analytically the process of velocity and energy relaxation in two-phase flows. We begin our exposition by considering the so-called six equations two-phase model [Ishii1975, Rovarch2006]. This model…
Variational models for cohesive fracture are based on the idea that the fracture energy is released gradually as the crack opening grows. Recently, [Conti, Focardi, and Iurlano, Ann. Inst. H. Poincar\'e C Anal. Non Lin\'eaire, 2016]…
Power systems are undergoing unprecedented transformations with the incorporation of larger amounts of renewable energy sources, distributed generation and demand response. All these changes, while potentially making power grids more…
The self-energy-functional approach proposed recently is applied to the single-band Hubbard model at half-filling to study the Mott-Hubbard metal-insulator transition within the most simple but non-trivial approximation. This leads to a…