Related papers: Direct ab initio calculation of the dynamical matr…
I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application…
Electric circuits are usually described by charge- and flux-oriented modified nodal analysis. In this paper, we derive models as port-Hamiltonian systems on several levels: overall systems, multiply coupled systems and systems within…
We propose an iterative method to find pointwise growth exponential growth rates in linear problems posed on essentially one-dimensional domains. Such pointwise growth rates capture pointwise stability and instability in extended systems…
The essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method are represented with no inherent geometrical approximation.…
The polynomial solution of the Schrodinger equation for the Pseudoharmonic potential is found for any arbitrary angular momentum $l$. The exact bound-state energy eigenvalues and the corresponding eigen functions are analytically…
Electromagnetic waves in a system with a space and time dependent boundary experience both diffraction and Doppler-like frequency conversion. In order to analyse such situations, conventional methods call for either the eigenmodes or the…
A novel photonics-assisted method based on presampling and MDA technique is proposed for significantly improving the frequency estimation precision without introducing other complex algorithms. This method is also compatible with existing…
Exotic nondiffusive heat transfer regimes such as the second sound, where heat propagates as a damped wave at speeds comparable to those of mechanical disturbances, often occur at cryogenic temperatures (T) and nanosecond timescales in…
For a one-dimensional electron-phonon system we consider the photon absorption involving electronic excitations within the pseudogap energy range. Within the adiabatic approximation for the electron - phonon interactions these processes are…
A new method of matrix spectral factorization is proposed which reliably computes an approximate spectral factor of any matrix spectral density that admits spectral factorization
We performed ab initio lattice-dynamics calculations of frame-cluster dodecaborides ZrB12 and LuB12. As a whole, our calculated phonon frequencies and atom-projected density of states are consistent with the results of available…
The ability to use photonic quasiparticles to control electromagnetic energy far below the diffraction limit is a defining paradigm in nanophotonics. An important recent development in this field is the measurement and manipulation of…
We derive a new, exact formula for the estimate of the initial energy densities from a new family of finite and exact solution of relativistic perfect fluid hydrodynamics. The new formula depends non-trivially on the speed of sound and on…
We give a general method to calculate photonic band structure in the form of wave number $k$ as a function of frequency $\omega$, which is required whenever we want to calculate signal intensity related with photonic band structure. This…
We have applied the Finite Element Method to the self-consistent electronic structure calculations of molecules and solids for the first time. In this approach all the calculations are performed in "real space" and the use of non-uniform…
Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such…
We propose a method for obtaining effective lifetimes of scattering electronic states for avoiding the artificially confinement of the wave function due to the use of incomplete basis sets in time-dependent electronic-structure calculations…
We propose an ab-initio molecular dynamics method, capable to reduce dramatically the autocorrelation time required for the simulation of classical and quantum particles at finite temperature. The method is based on an efficient…
We present a novel method for implementing massive neutrinos in N-body simulations. Instead of sampling the neutrino velocity distribution by individual point particles we take neutrino free-streaming into account by treating it as an…
Electron and phonon spectra dynamics, as well as features of structural transitions and melting of sodium under pressure within range 0 to 100 GPa are investigated. Electron and phonon spectra of crystal sodium are calculated ab initio…