Related papers: Extension of the composite CBS-QB3 method to singl…
We outline a partial-fractions decomposition method for determining the one-particle spectral function and single-particle density of states of a correlated electronic system on a finite lattice in the non self-consistent T-matrix…
We present a novel "linear combination of atomic orbitals"-type of approximation, enabling accurate electronic structure calculations for systems of up to 20 or more electronically coupled quantum dots. Using realistic single quantum dot…
In this Communication, we provide numerical evidence indicating that the standard single-reference coupled-cluster (CC) energies can be calculated alternatively to its copybook definition. We demonstrate that the CC energies can be…
We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron gas. We combine the short-range ladder channel with the…
A method for solving few-body scattering equations is proposed and examined. The solution of the scattering equations at complex energies is analytically continued to get scattering T-matrix with real positive energy. Numerical examples…
This study explores the electronic structure of the CH$_2$ molecule, modeled as a (6e, 23o) system using a 52-qubit quantum experiment, which is relevant for interstellar and combustion chemistry. We focused on calculating the dissociation…
The problem of constructing a guaranteed convergent sequence of corrections to the Hartree--Fock ground state energy of a molecule without storing the many-electron wave function is considered. Several methods based on cumulants are…
Using the complex energy method, the problem of nucleon-deuteron scattering is solved with a simple three-body force having a separable form. Our results are compared with the results of modern direct two-variable calculations and a good…
The review of developed by the authors new techniques for covariant calculation of matrix elements in QED, the so-called formalism of "Diagonal Spin Basis" (DSB), is presented. In DSB spin 4-vectors of in- and out- fermions are expressed…
We show that a recently developed method for generating bounds for the discrete energy states of the non-hermitian $-ix^3$ potential (Handy 2001) is applicable to complex rotated versions of the Hamiltonian. This has important implications…
We report on a multiband microscopic theory of many-exciton complexes in self-assembled quantum dots. The single particle states are obtained by three methods: single-band effective-mass approximation, the multiband $k\cdot p$ method, and…
Quantum Monte Carlo (QMC) techniques are used to calculate the one-body density matrix and excitation energies for the valence electrons of bulk silicon. The one-body density matrix and energies are obtained from a Slater-Jastrow wave…
Till date, the only consistent description of the deconfinement phase of the Sakai-Sugimoto model appears to be provided by the analysis of [1] (arXiv:1107.4048). The current version of the analysis, however, has a subtlety regarding the…
In this review some recent multi-loop results obtained in the framework of perturbative Quantum Chromodynamics (QCD) and Quantum Electrodynamics (QED) are discussed. After reviewing the most advanced techniques used for the computation of…
We reveal limitations of several standard coupled-cluster (CC) methods with perturbation-theorybased noniterative or approximate iterative treatments of triple excitations when applied to thedetermination of highly accurate potential energy…
The simplest, algebraic quantum-electrodynamical corrections, due to the double-negative energy subspace and instantaneous interactions, are computed to the no-pair energy of two-spin-1/2-fermion systems. Numerical results are reported for…
We propose a novel quasiparticle interpretation of the equation of state of deconfined QCD at finite temperature. Using appropriate thermal masses, we introduce a phenomenological parametrization of the onset of confinement in the vicinity…
We use a modified directed path algorithm to study the finite temperature chiral singularities of two color lattice QCD with staggered fermions at strong coupling. Our lattice calculations are done at a fixed finite temperature in the…
This work is a collection of initial calculations and formal considerations within the Salpeter-Sucher exact equal-time relativistic quantum electrodynamics framework. The calculations are carried out as preparation for the computation of…
The main purpose of this paper is to present a new corrected decoupled scheme combined with a spatial finite volume method for chemotaxis models. First, we derive the scheme for a parabolic-elliptic chemotaxis model arising in embryology.…