Related papers: Spectral shapes of solid neon
All-electron variational and diffusion quantum Monte Carlo calculations of the ground state energies of the first row atoms (Li to Ne) are reported. We use trial wavefunctions of four types: single determinant Slater-Jastrow wavefunctions;…
The spectral function for finite nuclei is computed within the framework of the Local Density Approximation, starting from nuclear matter spectral functions obtained with a realistic nucleon-nucleon interaction. The spectral function is…
Motivated by the problem of polaron effect due to phonon-modulated hopping, we formulate a generic Monte Carlo technique for solving it in the coordinate representation for both the particle and atomic displacements. The method applies to a…
We study many-particle phenomena of propagating multi-mode photons and phonons interacting through Brillouin scattering-type Hamiltonian in nanoscale waveguides. We derive photon and phonon retarded Green's functions and extract their…
Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…
We use the recently proposed scattering states numerical renormalization group (SNRG) approach to calculate $I(V)$ and the differential conductance through a single molecular level coupled to a local molecular phonon. We also discuss the…
We present a new Monte Carlo method for obtaining solutions of the Boltzmann equation for describing phonon transport in micro and nanoscale devices. The proposed method can resolve arbitrarily small signals (e.g. temperature differences)…
We propose an idea of the constrained Feynman amplitude for the scattering of the charged lepton and the virtual W-boson, $l_{\beta} + W_{\rho} \rightarrow l_{\alpha} + W_{\lambda}$, from which the conventional Pontecorvo oscillation…
A path-integral representation is constructed for the Jahn-Teller polaron (JTP). It leads to a perturbation series that can be summed exactly by the diagrammatic Quantum Monte Carlo technique. The ground-state energy, effective mass,…
Using Path Integral Monte Carlo and the Maximum Entropy method, we calculate the dynamic structure factor of solid $^4$He in the bcc phase at a finite temperature of T = 1.6 K and a molar volume of 21 cm$^3$. Both the single-phonon…
We discuss a semi-analytical solution of the transport equation for electrons at a non-relativistic shock in the presence of synchrotron energy losses. We calculate the spectrum of accelerated (test) particles at any point upstream and…
We present a general harmonic theory for the temperature dependence of phonon-renormalized properties of solids. Firstly, we formulate a perturbation theory in phonon-phonon interactions to calculate the phonon renormalization of physical…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…
Nucleon-nucleon (NN) phase shifts and the spectroscopy of $A \le 6$ nuclei are successfully described by an inverse scattering potential that is separable with oscillator form factors.
A new diagrammatic quantum Monte Carlo approach is proposed to deal with the imaginary time propagator involving both dynamic disorder (i.e., electron-phonon interactions) and static disorder of local or nonlocal nature in a unified and…
Electron- and phonon spectral functions of the one-dimensional, spinless-fermion Holstein model at half filling are calculated in the four distinct regimes of the phase diagram, corresponding to an attractive or repulsive Luttinger liquid…
Spin-resolved and temperature-dependent appearance-potential spectra of ferromagnetic Nickel are measured and analyzed theoretically. The Lander self-convolution model which relates the line shape to the unoccupied part of the local density…
Luminescence spectroscopy experiments were realized for single colloidal quantum dots CdSe/ZnS in a broad temperature range above room temperature in a nitrogen atmosphere. Broadening and shifts of spectra due to the temperature change as…
Understanding phonon transport mechanisms in nanostructures is of great importance for delicately tailoring thermal properties. Combining phonon particle and wave effects through different strategies, previous studies have obtained…
I describe the first continuous space nuclear path integral quantum Monte Carlo method, and calculate the ground state properties of light nuclei including Deuteron, Triton, Helium-3 and Helium-4, using both local chiral interaction up to…