Related papers: Probing vibrational energy relaxation in proteins …
The zero-temperature properties of a dilute two-component Fermi gas in the BCS-BEC crossover are investigated. On the basis of a generalization of the variational Schwinger method, we construct approximate semi-analytical formulae for…
Employing extensive quantum-chemical calculations at the DFT/B3LYP and MP2 level, a quartic force field of isolated N-methylacetamide is constructed. Taking into account 24 vibrational degrees of freedom, the model is employed to perform…
We propose a new method to characterize the spatial distribution of particles' vibrations in solids with much lower computational costs compared to the usual normal mode analysis. We excite the specific vibrational mode in a two dimensional…
The retardation and temperature effects in two-body collisions are studied. The collision integral with retardation effects is obtained on the base of the Kadanoff- Baym equations for Green functions in a form with allowance for reaching…
We introduce the harmonic virtual element method (harmonic VEM), a modification of the virtual element method (VEM) for the approximation of the 2D Laplace equation using polygonal meshes. The main difference between the harmonic VEM and…
A comprehensive, critical study of the vibrational, thermodynamic and thermoelastic properties of bcc iron is presented, using well established semi-empirical embedded-atom method potentials available in the literature. Classical molecular…
The physics of vibrational kinetics in nitrogen-containing plasma produced by collisions with electrons is studied on the basis of recently derived cross sections and rate coefficients for the resonant vibrational-excitation by…
Self Consistent Normal Mode Analysis (SCNMA) is applied to heme c type cytochrome f to study temperature dependent protein motion. Classical Normal Mode Analysis (NMA) assumes harmonic behavior and the protein Mean Square Displacement (MSD)…
We study the properties of a nano-electromechanical system in the coherent regime, where the electronic and vibrational time scales are of the same order. Employing a master equation approach, we obtain the stationary reduced density matrix…
An analytical theory is presented for the damping of low-frequency adsorbate vibrations via resonant coupling to the substrate phonons. The system is treated classically, with the substrate modeled as a semi-infinite elastic continuum and…
The choice of stabilization term is a critical component of the virtual element method (VEM). However, the theory of VEM provides only asymptotic guidance for selecting the stabilization term, which ensures convergence as the mesh size…
Recent measurements of quasiparticles in hole-doped cuprates reveal highly unusual features: 1) the doping-independent Fermi velocity, 2) two energy scales in the quasiparticle spectral function, and 3) a suppression of the low energy…
It is shown that the density of modes of the vibrational spectrum of globular proteins is universal, i.e., regardless of the protein in question it closely follows one universal curve. The present study, including 135 proteins analyzed with…
Large protein assemblies, such as virus capsids, may be coarse-grained as a set of rigid domains linked by generalized (rotational and stretching) harmonic springs. We present a method to obtain the elastic parameters and overdamped…
Relaxation channels for two-vibron bound states in an anharmonic alpha-helix protein are studied. It is pointed out that the relaxation originates in the interaction between the dressed anharmonic vibrons and the remaining phonons. This…
We analyze the applicability of the Fermi-golden-rule description of quasiparticle relaxation in a closed diffusive quantum dot with electron-electron interaction. Assuming that single-particle levels are already resolved but the initial…
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…
By using the scaling method we derive the virial theorem for the relativistic mean field model of nuclei treated in the Thomas-Fermi approach. The Thomas-Fermi solutions statisfy the stability condition against scaling. We apply the…
Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is questioned here against the complex experimental spectrum…
On the basis of a moment method, general solutions of a linearized Boltzmann equation for a normal Fermi system are investigated. In particular, we study the sound velocities and damping rates as functions of the temperature and the…