相关论文: Correlation Energy Estimators based on M{\o}ller-P…
The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy…
We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary…
Perturbative QCD corrections to hadronic $\tau$ decays and $e^+e^-$ annihilation into hadrons below charm are obtained from the Adler function, which at present is known in the chiral limit to five-loop accuracy. Extractions of the strong…
The correlation energies of various atoms in their excited-states are estimated by modelling the Coulomb hole following the previous work by Chakravorty and Clementi. The parameter in the model is fixed by making the corresponding Coulomb…
We report successful implementation of the time-dependent second-order many-body perturbation theory using optimized orthonormal orbital functions called time-dependent optimized second-order many-body perturbation theory [TD-OMP2] to reach…
A recently developed linear algebraic method for the computation of perturbation expansion coefficients to large order is applied to the problem of a hydrogenic atom in a magnetic field. We take as the zeroth order approximation the $D…
We investigate the partonic origin of the proton longitudinal spin using spin-dependent energy correlators measured in lepton-hadron collisions with longitudinally polarized proton beams. These observables encode angular correlations in…
An efficiency of the Tucker decomposition of amplitude tensors within the single-reference relativistic coupled cluster method with single and double excitations (RCCSD) was studied in a series of benchmark calculations for (AuCl)$_n$…
We show that the stress-energy tensor has additional terms with respect to the ideal form in states of global thermodynamic equilibrium in flat spacetime with non-vanishing acceleration and vorticity. These corrections are of quantum origin…
We make an extensive rigorous study on convergent behaviour of Morse-Feshbach nonlinear perturbation series (MFNPS) to find out energy levels of the anharmonic oscillator (AHO) in both weak and strong coupling limit. We develop a new method…
We develop new perturbation techniques for conducting convergence analysis of various first-order algorithms for a class of nonsmooth optimization problems. We consider the iteration scheme of an algorithm to construct a perturbed…
We present a renormalized second-order perturbation theory (rPT2), based on a Kohn-Sham (KS) reference state, for the electron correlation energy that includes the random-phase approximation (RPA), second-order screened exchange (SOSEX),…
Although persistent excitation is often acknowledged as a sufficient condition to exponentially converge in the field of adaptive parameter estimation, it must be noted that in practical applications this may be unguaranteed. Recently, more…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…
The accurate modelling and simulation of electric devices involving ferromagnetic materials requires the appropriate consideration of magnetic hysteresis. We discuss the systematic incorporation of the energy-based vector hysteresis model…
We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion…
We take into account the dynamics of three types of models of rotating galaxies in polar coordinates in a rotating frame. Due to non-axisymmetric potential perturbations, the angular momentum varies with time, and the kinetic energy depends…
We investigate the properties of two standard energy estimators used in path-integral Monte Carlo simulations. By disentangling the variance of the estimators and their autocorrelation times we analyse the dependence of the performance on…
Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [Weber, Niklasson and Challacombe, Phys. Rev.\ Lett. {\bf 92}, 193002 (2004)] is extended to the computation of higher order static…