相关论文: Multireference X-Ray Emission and Absorption Spect…
Employing a simple hydrophobic-polar heteropolymer model, we compare thermodynamic quantities obtained from Andersen and Nose-Hoover molecular dynamics as well as replica-exchange Monte Carlo methods. We find qualitative correspondence in…
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation…
We present time-domain Monte Carlo simulations of radio emission from cosmic ray air showers in the scheme of coherent geosynchrotron radiation. Our model takes into account the important air shower characteristics such as the lateral and…
A Monte Carlo method is presented to evaluate quantum states with many particles moving in the continuum. The scattering state is generated at each time by a Monte Carlo random sampling algorithm. The same calculation are repeated until the…
We present new calculations of X-ray polarization from black hole accretion disks in the thermally-dominated state, using a Monte-Carlo ray-tracing code in full general relativity. In contrast to many previously published studies, our…
In this study, we present novel calculations of X-ray polarization from radio-quiet and unobscured active galactic nuclei (AGNs) using the Monte Carlo code MONK, which includes all general and special relativity effects. Our geometric…
We present new calculations of X-ray polarization from accreting black holes (BHs), using a Monte-Carlo ray-tracing code in full general relativity. In our model, an optically thick disk in the BH equatorial plane produces thermal seed…
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of…
The MCNP code was used to study the characteristics of gamma radiation field with collimated beam geometry. A close-to-reality simulation model of the facility was used for calculation air-kerma along the whole range of…
We present quantum Monte Carlo calculations for various reaction pathways of H$_2$ with Si(001), using large model clusters of the surface. We obtain reaction energies and energy barriers noticeably higher than those from approximate…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and predicted by various density functional models. Nonlocal…
The properties of hydrogen under extreme conditions are important for many applications, including inertial confinement fusion and astrophysical models. A key quantity is given by the electronic density response to an external perturbation,…
Approximate natural orbitals are investigated as a way to improve a Monte Carlo configuration interaction (MCCI) calculation. We introduce a way to approximate the natural orbitals in MCCI and test these and approximate natural orbitals…
We propose a method of simulation that is based on the averaging of formal solutions of the transfer equation by taking the integral by the Monte Carlo method. This method is used to compute two models, which correspond to the limiting…
We have studied the scaling properties of the electromagnetic response functions of $^4$He and $^{12}$C nuclei computed by the Green's Function Monte Carlo approach, retaining only the one-body current contribution. Longitudinal and…
We describe a Monte Carlo radiative transport code intended for calculating spectra of hot, optically thin plasmas in full general relativity. The version we describe here is designed to model hot accretion flows in the Kerr metric and…
We report the application of a new Monte Carlo method, Smoothed Particle Inference (SPI, described in a pair of companion papers), towards analysis and interpretation of X-ray observations of clusters of galaxies with the XMM-Newton…
Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with…
We perform calculations for the binding energies and low-lying levels of ${}^{10,11,12,13,14,15,16,17,18,19,20,21,22}C$ nuclei starting from the chiral $N3LO$ nucleon-nucleon potential within the framework of the Hybrid Multideterminant…