Related papers: Ab initio approach for atomic relaxations in suppo…
An ab-initio description of atomic nuclei that solves the nuclear many-body problem for realistic nuclear forces is expected to possess a high degree of predictive power. In this contribution we treat the main obstacle, namely the…
We study how the finite-sized n-component model A with periodic boundary conditions relaxes near its bulk critical point from an initial nonequilibrium state with short-range correlations. Particular attention is paid to the universal…
We present a method (the Aufbau/Abbau method) for optimizing the structure of a whole series of clusters without making any assumptions on the structure. Subsequently, the method is combined with the embedded-atom method in determining the…
We have developed a new simulation code aimed at studying the stellar dynamics of a galactic central star cluster surrounding a massive black hole. In order to include all the relevant physical ingredients (2-body relaxation, stellar mass…
Using the two-level approximation of the energy barrier, we perform extensive kinetic Monte Carlo simulations to probe the relaxation characteristics in a two-dimensional ($L^{}_x\times L^{}_y$) array of magnetic nanoparticle as a function…
We study relaxation-based approaches for conserving mass and energy in the numerical solution of Schr\"odinger-Poisson (SP) type systems. Relaxation-based methods offer a general approach that can be applied as post-time step processing to…
A new mechanism for relaxing the nuclear magnetic moments, in which a pair of spin-polarized BCS quasiparticles is emitted or absorbed, and which dominates at low temperature, is identified in type-II d-wave superconductors in an external…
We present a systematically-improvable approach to core excitations in variational Monte Carlo. Building on recent work in excited-state-specific Monte Carlo, we show how a straightforward protocol, starting from a quantum chemistry guess,…
A model for studying atomtronic devices and circuits based on finite temperature Bose-condensed gases is presented. The approach involves numerically solving equations of motion for atomic populations and coherences, derived using the…
We present a method to determine the equilibrium geometry of large atomistic systems with linear scaling. It is based on a separate treatment of long and short wavelength components of the forces. While the rapidly varying part is handled…
Convex relaxation methods are powerful tools for studying the lowest energy of many-body problems. By relaxing the representability conditions for marginals to a set of local constraints, along with a global semidefinite constraint, a…
We derived a simple reduced form from the exact solution of the mixed magnetic and quadrupolar nuclear spin--lattice relaxation function at the central transition line of a quadrupole-split NMR spectrum for the nuclear spin $I$ = 3/2. The…
We propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of the local density approximation. This…
Accurate predictions of the hydration free energy for anions typically have been more challenging than for cations. Hydrogen bond donation to the anion in hydrated clusters such as $\mathrm{F(H_2O)}_n{}^-$ can lead to delicate structures.…
We present calculations of asymptotic normalization coefficients (ANCs) for one-nucleon removals from nuclear states of mass numbers 3 to 9. Our ANCs were computed from variational Monte Carlo solutions to the many-body Schroedinger…
We present results of magnetic torque calculations using the fully relativistic spin-polarized Korringa-Kohn-Rostoker approach applied to small Co and Fe clusters deposited on the Pt(111) surface. From the magnetic torque one can derive…
It is shown how to adapt the non-perturbative coupled cluster method of many-body theory so that it may be successfully applied to Hamiltonian lattice $SU(N)$ gauge theories. The procedure involves first writing the wavefunctions for the…
We generalize a recent prescription for the relaxation time approximation for the relativistic Boltzmann equation for systems with multiple particle species at finite temperature. This is performed by adding counter-terms to the traditional…
Motivated by the idea of using simple macroscopic examples to illustrate the physics of complex systems, we modify a historic experimental setup in which interacting floating magnets spontaneously self-assemble into ordered clusters. By…
Auxiliary Field Quantum Monte Carlo (AFQMC) has emerged as a powerful framework for treating strongly correlated electronic systems, offering a favorable balance between computational cost and accuracy. In this paper, we present a novel…