相关论文: Self-interaction correction in multiple scattering…
Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of $N$ scatterers. Wave-functions are expanded in a spherical-wave basis on…
The Perdew-Zunger (PZ) method provides a way to remove the self-interaction (SI) error from density functional approximations on an orbital by orbital basis. The PZ method provides significant improvements for the properties such as barrier…
Numerical computations of cross sections for quasielastic charge current scattering of neutrino on Oxygen, Argon and Iron in Local Density Approximation (LDA) are presented. We consider processes for a few GeV neutrino energy. We include…
Coherent potential approximation (CPA) has widely been used for studying residual resistivity of bulk alloys and electrical conductivity in inhomogeneous systems with structural disorder. Here we revisit the single-site CPA within the…
We present the formulation and implementation of the Integral-Screened Configuration-Interaction method (ISCI). The ISCI is a minimal-operational count integral-driven direct Configuration-Interaction (CI) method with a simple and rigorous…
Polarized semi-inclusive deep-inelastic scattering (SIDIS) is a key process in the quest for a resolution of the proton spin puzzle. We present the complete results for the polarized SIDIS process at next-to-next-to-leading order (NNLO) in…
We introduce the Korringa-Kohn-Rostocker non-local coherent potential approximation (KKR-NLCPA) for describing the electronic structure of disordered systems. The KKR-NLCPA systematically provides a hierarchy of improvements upon the widely…
The most essential concept in concurrent multiscale methods involving atomistic-continuum coupling is how to define the relation between atomistic and continuum regions. A well-known coupling method that has been frequently employed in…
We compute the corrections of next to leading order in the ${1 \over N}$ expansion to the effective potential of a system described by a Ginzburg-Landau model with $N$ components and quartic interaction, in the case of spontaneous symmetry…
We study the effective action describing high-energy scattering processes in the multi-Regge limit of QCD, which should provide the starting point for a new attempt to overcome the limitations of the leading logarithmic and the eikonal…
The localization phenomena due to the random potential scattering is widely discussed in the electron and photon systems, where the theoretical approach is the nonlinear $\sigma$ model with the replica method or with the supersymmetry. In…
Semi-inclusive hadron production in longitudinally polarized deep-inelastic lepton-nucleon scattering is a powerful tool for resolving the quark flavor decomposition of the proton's spin structure. We present the full…
We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in suspensions of charge-stabilized colloidal spheres. In simulation and theory, the spheres interact by a hard-core plus screened Coulomb…
We study the site-diluted double exchange (DE) model and its effective Ruderman-Kittel-Kasuya-Yosida-like interactions, where localized spins are randomly distributed, with the use of the Self-learning Monte Carlo (SLMC) method. The SLMC…
In this work, we investigate the possibility of improving multireference-driven coupled cluster (CC) approaches with an algorithm that iteratively combines complete active space (CAS) calculations with tailored CC and externally corrected…
The $\Xi\Xi$ interaction in the $^1$S$_0$ channel is studied to examine the convergence of the derivative expansion of the non-local HAL QCD potential at the next-to-next-to-leading order (N$^2$LO). We find that (i) the leading order…
We introduce a novel coupling potential for the scattering of deformed light heavy-ion reactions. This new approach is based on replacing the usual first-derivative coupling potential by a new, second derivative coupling potential in the…
Inverting scattering experiments to obtain effective interparticle interactions is generally a poorly conditioned problem. L. Reatto (Phil. Mag. A 58, 37 (1986)) showed that for atomic liquids close to the triple point, inversions are hard…
A theoretical method for treating collisions in the presence of multiple potentials is developed by employing the Schwinger variational principle. The current treatment agrees with the local (regularized) frame transformation theory and…
A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…