Related papers: Parity-mixed coupled-cluster formalism for computi…
Measurements of parity-violating longitudinal analyzing powers (normalized asymmetries) in polarized proton-proton scattering provide a unique window on the interplay between the weak and strong interactions between and within hadrons.…
Accurate electronic structure calculations might be one of the most anticipated applications of quantum computing.The recent landscape of quantum simulations within the Hartree-Fock approximation raises the prospect of substantial theory…
Particle Markov Chain Monte Carlo (PMCMC) is a general computational approach to Bayesian inference for general state space models. Our article scales up PMCMC in terms of the number of observations and parameters by generating the…
Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…
We present a new implementation of the hybrid antisymmetrized Coupled Channels (haCC) method in the framework of the tRecX [A. Scrinzi, Comp. Phys. Comm., 270:108146, 2022.]. The method represents atomic and molecular multi-electron…
We combine the electron attachment (EA) and ionization potential (IP) equation-of-motion (EOM) coupled-cluster (CC) approaches with the CC($P$;$Q$) formalism. The resulting methodologies are used to describe the electronic states of several…
In Phys. Rev. D 103, L111303 (2021), we had reported an improved calculation of the nuclear spin-independent parity violating electric dipole transition amplitude ($E1_{PV}$) for the $6s ~ ^2S_{1/2} - 7s ~ ^2S_{1/2}$ transition in…
Under the conventional scale setting, the renormalization scale uncertainty usually constitutes a systematic error for a fixed-order perturbative QCD estimation. The recently suggested principle of maximum conformality (PMC) provides a…
An algorithm for constructing parity-check matrices of non-binary quasi-cyclic low-density parity-check (NB QC-LDPC) codes is proposed. The algorithm finds short cycles in the base matrix and tries to eliminate them by selecting the…
In this paper, we extensively investigate the new algorithm known as the multi-step BCFW recursion relations. Many interesting mathematical properties are found and understanding these aspects, one can find a systematic way to complete the…
We apply the microscopic coupled-cluster method (CCM) to the spin-$1\over2$ $XXZ$ models on both the one-dimensional chain and the two-dimensional square lattice. Based on a systematic approximation scheme of the CCM developed by us…
Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (eEDM), in order to explore physics beyond the Standard Model, requires a synergy…
Cluster structures of $^{14}$C were investigated with a method of antisymmetrized molecular dynamics (AMD) combined with a $3\alpha+nn$ cluster model while focusing on the monopole excitations and linear-chain $3\alpha$ band. Variation…
We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the local fragment…
The article deals with a number of the existings variants of direct calculation of amplitudes of processes with polarized Dirac particles. It is shown, that all of them are special cases of one and the same mathematical scheme. The…
By looking at the parity-nonconserving (PNC) asymmetries at different energies in $\vec{p} p$ scattering, it is in principle possible to determine the PNC $\rho NN$ and $\omega NN$ couplings of a single-meson-exchange model of the PNC $NN$…
The self-energy and vertex QED radiative corrections to the parity nonconservation (PNC) amplitude in atoms are obtained using the perturbation theory in powers of (alpha Z). The calculated linear in (alpha Z) term gives -0.6 % for the PNC…
Periodic micromagnetic finite element method (PM-FEM) is introduced to solve periodic unit cell problems using the Landau-Lifshitz-Gilbert equation. PM-FEM is applicable to general problems with 1D, 2D, and 3D periodicities. PM-FEM is based…
In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schr\"odinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze the tailored…
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant resulting in errors when modelling properties like optical rotation and…