Related papers: Self-consistent collective coordinate for reaction…
An outstanding problem in the theory of nuclear fission is to understand the Hamiltonian dynamics at the scission point. In this work the fissioning nucleus is modeled in self-consistent mean-field theory as a set of Generator Coordinate…
A new alternate method for evaluating linear response theory is formally developed, and results are presented. This method involves the time-evolution of the system using TDHF and is constructed directly on top of a static Hartree-Fock…
Self interaction error remains an impotrant problem in density functional theory. A number of approximations to exact exchange aimed to correct for this error while retainining computational efficiency had been suggested recently. We…
We consider a range of model potentials with metastable states undergoing molecular dynamics coupled to a thermal bath in the high friction regime, and consider how the optimal reaction coordinate depends on the diffusion anisotropy. For…
We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…
With a view toward describing reactions of intermediate-mass nuclei from first principles, we present first results for the norm and Hamiltonian overlaps (kernels) for the p-{\alpha}, p-16O and p-20Ne cluster systems using realistic…
The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…
Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory (DFT) calculations. However, when applied to more than two atoms, these methods are still…
A multi-channel algebraic scattering (MCAS) method has been used to solve coupled sets of Lippmann-Schwinger equations for $\alpha$+nucleus systems to find spectra of the compound systems. Low energy spectra for ${}^{12}$C, ${}^{16}$O, and…
Sequential Monte Carlo (SMC) methods are not only a popular tool in the analysis of state space models, but offer an alternative to MCMC in situations where Bayesian inference must proceed via simulation. This paper introduces a new SMC…
Empirical results show that Anderson acceleration (AA) can be a powerful mechanism to improve the asymptotic linear convergence speed of the Alternating Direction Method of Multipliers (ADMM) when ADMM by itself converges linearly. However,…
In this work we revisit the classic problem of homogeneous nucleation of a liquid droplet in a supersaturated vapor phase. We consider this at different extents of the driving force, which here is the extent of supersaturation, and…
On the basis of the adiabatic self-consistent collective coordinate method, we develop an efficient microscopic method of deriving the five-dimensional quadrupole collective Hamiltonian and illustrate its usefulness by applying it to the…
A microscopic calculation of the equation of state for asymmetric nuclear matter is presented. We employ realistic nucleon-nucleon forces and operate within the Dirac-Brueckner-Hartree-Fock approach to nuclear matter. The focal point of…
Astrophysical modeling of processes in environments that are not in local thermal equilibrium requires the knowledge of state-to-state rate coefficients of rovibrational transitions in molecular collisions. These rate coefficients can be…
Background: Microscopic description of spontaneous fission is one of the most challenging subjects in nuclear physics. It is necessary to evaluate the collective potential and the collective inertia along a fission path for a description of…
We describe a general methodology for enhancing the efficiency of adiabatic quantum computations (AQC). It consists of homotopically deforming the original "Hamiltonian surface" in a way that the redistribution of the Gaussian curvature…
We present a method to perform stability analysis of nonequilibrium fixed points appearing in self-consistent electron transport calculations. The nonequilibrium fixed points are given by the self-consistent solution of stationary,…
Properties of asymmetric nuclear matter are derived from various many-body approaches. This includes phenomenological ones like the Skyrme Hartree-Fock and relativistic mean field approaches, which are adjusted to fit properties of nuclei,…
Symplectic symmetry approach to clustering (SSAC) in atomic nuclei, recently proposed, is modified and further developed in more detail. It is firstly applied to the light two-cluster $^{20}$Ne + $\alpha$ system of $^{24}$Mg, the latter…