相关论文: Relativistic quintuple-zeta basis sets for the s b…
We have examined cobalt based valence tautomer molecules such as Co(SQ)$_2$(phen) using density functional theory (DFT) and variational configuration interaction (VCI) approaches based upon a model Hamiltonian. Our DFT results extend…
We propose an approach to the quantum-mechanical description of relativistic orientable objects. It generalizes Wigner's ideas concerning the treatment of nonrelativistic orientable objects (in particular, a nonrelativistic rotator) with…
The nonrelativistic full-folding optical model approach for nucleon-nucleus scattering is extended into the relativistic regime. In doing so, kinematical issues involving the off-shell Lorentz boost of the colliding particles between the…
A new relativistic Hartree-Fock approach with density-dependent $\sigma$, $\omega$, $\rho$ and $\pi$ meson-nucleon couplings for finite nuclei and nuclear matter is presented. Good description for finite nuclei and nuclear matter is…
Nucleon-nucleon scattering is studied to next-to-leading order in a partially-quenched extension of an effective field theory used to describe multi-nucleon systems in QCD. The partially-quenched nucleon-nucleon amplitudes will play an…
This paper presents the derivation of a kinetic-balance condition for explicitly correlated basis functions employed in semi-classical relativistic calculations. Such a condition is important to ensure variational stability in algorithms…
Scalar non-standard interactions (NSI) presents an exciting pathway for probing potential new physics that extends beyond the Standard Model (BSM). The scalar coupling of neutrinos with matter can appear as a sub-dominant effect that can…
A new family of Gaussian-type basis sets named sigma basis sets is presented and preliminarily tested. Sigma basis sets for H, C, N, O and P are reported and their performance is tested in some atomic and molecular calculations.
Semi-leptonic electroweak interactions in nuclei - such as \beta decay, \mu capture, charged- and neutral-current neutrino reactions, and electron scattering - are described by a set of multipole operators carrying definite parity and…
The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term,…
We introduce a finite element construction for use on the class of convex, planar polygons and show it obtains a quadratic error convergence estimate. On a convex n-gon satisfying simple geometric criteria, our construction produces 2n…
This paper introduces an abstract framework for randomized subspace correction methods for convex optimization, which unifies and generalizes a broad class of existing algorithms, including domain decomposition, multigrid, and block…
We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way. We compare our…
Reduced basis methods provide a powerful framework for building efficient and accurate emulators. Although widely applied in many fields to simplify complex models, reduced basis methods have only been recently introduced into nuclear…
Self-consistent field theory (SCFT) and strong segregation theory (SST) are used to explore the parameter space governing the self-assembly of cylinder forming block copolymers (BCPs) on a modulated substrate. The stability of in-plane…
This paper explores the problem of clustering ensemble, which aims to combine multiple base clusterings to produce better performance than that of the individual one. The existing clustering ensemble methods generally construct a…
Tensor Robust Principal Component Analysis (TRPCA) holds a crucial position in machine learning and computer vision. It aims to recover underlying low-rank structures and to characterize the sparse structures of noise. Current approaches…
Convolutional Neural Networks (CNNs) perform very well in image classification and object detection in recent years, but even the most advanced models have limited rotation invariance. Known solutions include the enhancement of training…
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We…
The measured occupancies of valence orbits in $^{76}$Ge and $^{76}$Se are used as a guideline for modification of the effective mean field energies that results in better description of these quantities. With them, in combination with the…