Related papers: Fourth-order perturbative extension of the single-…
We extend to the clover improved lattice formulation of QCD the resummation of cactus diagrams, i.e. a certain class of tadpole-like gauge invariant diagrams. Cactus resummation yields an improved perturbative expansion. We apply it to the…
We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa-Kohn-Rostoker Green's function method and the second moment tight-binding approximation for…
An approximate relativistic two-component Hamiltonian for use in molecular electronic structure calculations is derived in the form of a sum of fixed atom-centered kinetic and spin-orbit operators added to the non-relativistic Hamiltonian.…
The paper presents the multipole expansion for the electron-nucleus scattering cross section at high energies within the framework of the unified electroweak theory. The electroweak currents of the nucleus are expanded into the simple…
Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding formalisms can target excited states using non-Aufbau…
The predictions of the geometric collective model (GCM) for different sets of Hamiltonian parameter values are related by analytic scaling relations. For the quartic truncated form of the GCM -- which describes harmonic oscillator, rotor,…
We present a general approach within the relativistic coupled-cluster theory framework to calculate exactly the first order wave functions due to any rank perturbation operators. Using this method, we calculate the static dipole and…
We examine the contributions from triple excitation cluster operators in the relativistic coupled-cluster theory in atoms and ions. For this, we propose a tensor representation of the triple cluster operator. Based on this representaion and…
We consider two distinct coupled cluster (CC) perturbation series that both expand the difference between the energies of the CCSD (CC with single and double excitations) and CCSDT (CC with single, double, and triple excitations) models in…
We propose to resum exactly any number of one-loop vacuum polarization insertions into the scale of the coupling of lowest order radiative corrections. This makes maximal use of the information contained in one-loop perturbative corrections…
We discuss new ideas for consideration of loop diagrams and angular integrals in $D$-dimensions in QCD. In case of loop diagrams, we propose the covariant formalism of expansion of tensorial loop integrals into the orthogonal basis of…
We report the implementation of 4-component spinor relativistic equation-of-motion coupledcluster method within the single- and double- excitation approximation to calculate ionization potential (EOM-CCSD) of molecules. We have applied this…
The reduced-particle model is the central element for the systematic derivation of the gyrokinetic Vlasov-Maxwell equations from first principles. Coupled to the fields inside the gyrokinetic field-particle Lagrangian, the reduced-particle…
In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear polynomial equations in order to determine the so-called amplitudes which are then used to compute the energy and other properties. Although it is of…
Ab initio atomic relaxations often take large numbers of steps and long times to converge. An atomic relaxation method based on on-the-flight force learning and a corresponding new curved line minimization algorithm is presented to…
We generalize the Aufbau suppressed coupled cluster formalism into the realm of doubly excited states by deriving, implementing, and testing a wave function initialization strategy that allows the zeroth order wave function to match the…
Finite element approximation to a decoupled formulation for the quad--curl problem is studied in this paper. The difficulty of constructing elements with certain conformity to the quad--curl problems has been greatly reduced. For convex…
Although one-loop calculations provide a realistic description of bulk and single-particle nuclear properties, it is necessary to examine loop corrections to develop a systematic finite-density power-counting scheme for the nuclear…
A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real…
We focus here on a class of fourth-order parabolic equations that can be written as a system of second-order equations by introducing an auxiliary variable. We design a novel second-order fully discrete mixed finite element method to…