相关论文: Benchmark calculation of no-core Monte Carlo shell…
Monte Carlo simulation code has been developed and tested for studying the passage of charged particle beams and radiation through the crystalline matter at energies from tens of MeV up to hundreds of GeV. The developed Monte Carlo code…
Monte Carlo simulation based on Metropolis algorithm has been used with a great success to analyze the dynamic phase transition properties of a single spherical core-shell nanoparticle system with a spin-3/2 core surrounded by a spin-1…
The Unitary Correlation Operator Method (UCOM) is applied to realistic potentials. The effects of tensor correlations are investigated. The resulting phase shift equivalent correlated interactions are used in the no-core shell model for…
Electron capture and beta-decay rates on nuclei in the mass range A=45-65 play an important role in many astrophysical environments. The determination of these rates by large-scale shell model calculations is desirable, but it requires to…
Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also…
We present a kinetic Monte Carlo method for simulating chemical transformations specified by reaction rules, which can be viewed as generators of chemical reactions, or equivalently, definitions of reaction classes. A rule identifies the…
In a recent Letter [Phys. Rev. Lett. 99, 092501 (2007)], Roth and Navratil present an importance-truncation scheme for the no-core shell model. The authors claim that their truncation scheme leads to converged results for the ground state…
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via the application of the lever rule, where an assigned molar…
We use a path integral quantum Monte Carlo method to simulate excitons and biexcitons in core shell nanocrystals with Type-I, II and quasi-Type II band alignments. Quantum Monte Carlo techniques allow for all quantum correlations to be…
Quantum Monte Carlo calculations of the first-row atoms Li-Ne and their singly-positively-charged ions are reported. Multi-determinant-Jastrow-backflow trial wave functions are used which recover more than 98% of the correlation energy at…
We present a practical solution to the "sign problem" in the auxiliary field Monte Carlo approach to the nuclear shell model. The method is based on extrapolation from a continuous family of problem-free Hamiltonians. To demonstrate the…
Auxiliary Field Diffusion Monte Carlo (AFDMC) calculations have been employed to revise the interaction between $\Lambda$-hyperons and nucleons in hypernuclei. The scheme used to describe the interaction, inspired by the phenomenological…
We report ab initio benchmark calculations of nuclear matrix elements (NMEs) for neutrinoless double-beta ($0\nu\beta\beta$) decays in light nuclei with mass number ranging from $A=6$ to $A=22$. We use the transition operator derived from…
Monte Carlo simulation is an essential component of experimental particle physics in all the phases of its life-cycle: the investigation of the physics reach of detector concepts, the design of facilities and detectors, the development and…
Reliable theoretical predictions of noncovalent interaction energies, which are important e.g. in drug-design and hydrogen-storage applications, belong to longstanding challenges of contemporary quantum chemistry. In this respect, the…
An ensemble of neural networks is employed to extrapolate no-core shell model (NCSM) results to infinite model space for light nuclei. We present a review of our neural network extrapolations of the NCSM results obtained with the Daejeon16…
Microscopic calculations of neutrino-nucleus scattering cross sections are critical for the success of the neutrino-oscillation program. In addition to retaining nuclear correlations in the initial and final state of the reaction, they are…
We use the auxiliary-fields Monte Carlo method for the shell model in the complete $(pf+0g_{9/2})$-shell to calculate level densities. We introduce parity projection techniques which enable us to calculate the parity dependence of the level…
We present a quantum Monte Carlo method which allows calculations on many-fermion systems at finite temperatures without any sign decay. This enables simulations of the grand-canonical ensemble at large system sizes and low temperatures.…
The one-dimensional harmonic oscillator in a box problem is used to introduce the concept of a mixed-mode shell-model scheme. The method combines low-lying ``pure mode'' states of a system to achieve a better description in situations where…