Related papers: Relativistic Complete Active Space Self-consistent…
We have developed an all particle Fock-space relativistic coupled-cluster method for two-valence atomic systems. We then describe a scheme to employ the coupled-cluster wave function to calculate atomic properties. Based on these…
Two-dimensional coherent spectroscopy (2DCS) is an established method for characterizing molecules and has been proposed in the THz regime as a new tool for probing exotic excitations of quantum magnets; however, the precise nature of the…
We present a comprehensive analysis of the semileptonic weak decays of $B_c$ meson decaying to axial-vector ($A$) mesons for bottom-conserving and bottom-changing decay modes. We employ self-consistent covariant light-front quark model…
We propose the multi-state complete-active-space second-order perturbation theory spin-orbit method (MS-CASPT2-SO) for electronic structure calculations. It is a two-step spin-orbit coupling method that does not make use of energy shifts…
A rigorous analysis is carried out concerning the use of Cholesky decomposition (CD) of two-electron integrals in the case of quantum-chemical calculations with finite or perturbative magnetic fields and gauge-including atomic orbitals. We…
In this paper, we develop a second-order, fully decoupled, and energy-stable numerical scheme for the Cahn-Hilliard-Navier-Stokes model for two phase flow with variable density and viscosity. We propose a new decoupling Constant Scalar…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
We introduce a two-body quantum Hamiltonian model with spins-$\half$ located on the vertices of a 2D spatial lattice. The model exhibits an exact topological degeneracy in all coupling regimes. This is a remarkable non-perturbative effect.…
This study investigates the atomistic spin system in $\rm CrCl_{3}$, which exhibits topologically nontrivial meron structures within its layered hexagonal lattice framework. We analyze the complete model of discrete spin dynamics on a…
We develop numerical methods for solving the spin-2 Gross-Pitaevskii equation. The basis of our work is a two-way splitting of this evolution equation that leads to two exactly solvable subsystems. Utilizing second-order and fourth-order…
A system of two fermions with different masses and interacting by the Coulomb potential is presented in a completely covariant framework. The spin-spin interaction, including the anomalous magnetic moments of the two fermions, is added by…
We propose an efficient deterministic method to calculate the full configuration interaction (FCI) ground state energy. This method leverages the sparseness of the Lanczos basis vectors that span the Krylov subspace associated with the…
In the present article, we introduce the relativistic Cholesky-decomposed density (CDD) matrix second-order M{\o}ller-Plesset perturbation theory (MP2) energies. The working equations are formulated in terms of the usual intermediates of…
We report the recent progress from our group in extracting observables of both inclusive and exclusive semileptonic heavy-meson decays directly from lattice QCD four-point correlators. On the inclusive side, we illustrate how to estimate…
Self-consistent random phase approximation (RPA) approaches in the relativistic framework are applied to calculate the isospin symmetry-breaking corrections $\delta_c$ for the $0^+\to0^+$ superallowed transitions. It is found that the…
Accurate modelling of redshift-space distortions (RSD) is challenging in the non-linear regime for two-point statistics e.g. the two-point correlation function (2PCF). We take a different perspective to split the galaxy density field…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan equations where the one- and two-electron radial integrals are evaluated numerically by defining the basis functions on a grid. This procedure reduces the…
In this article, we discuss the stability of soft quasicrystalline phases in a coupled-mode Swift-Hohenberg model for three-component systems, where the characteristic length scales are governed by the positive-definite gradient terms.…
Two-beam coupling within the field of nonlinear optics, which transfers energy from one light beam to the other under certain conditions, has received considerable attention in inertial confinement fusion (ICF) and plasma optics. To…