相关论文: Pseudopotential contributions to the quadrupole mo…

Three-loop electronic vacuum-polarization corrections due to irreducible diagrams are evaluated for two-body muonic ions with nuclear charge numbers 1 <= Z <= 6. The corrections are of order alpha^3 (Zalpha)^2 m_r, where alpha is the…

Quantum Monte Carlo methods provide in principle an accurate treatment of the many-body problem of the ground and excited states of condensed systems. In practice, however, uncontrolled errors such as those arising from the fixed-node and…

We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional…

This letter is an investigation of the pion form factor utilizing recently developed effective field theory techniques. The primary results reported are: Both the transition and electromagnetic form factors are corrected at order…

We present recent results from experimental studies of power corrections in the model of Dokshitzer, Marchesini and Webber using data from the process e+e- -> hadrons at several centre-of-mass energies. Fitted O(alpha_S^2)+NLLA QCD…

We revisited the electronic structure parameters used to interpret the hyperfine structure of neutral polonium. We used a computational scheme that treats relativistic and high-order electronic correlation effects within the coupled cluster…

We present a comprehensive analysis of the deuteron charge and quadrupole form factors based on the latest two-nucleon potentials and charge density operators derived in chiral effective field theory. The single- and two-nucleon…

We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…

Within the frame-work of semiclassical theory two-level approximation in atomic system has been considered. Model proposed by M.D. Crisp and E.T. Jaynes has been modified. It has been shown that the time-dependent frequency shift depends on…

A non-universal anomaly free $U(1)_{X}$ extension to the Minimal Supersymmetric Standard Model, consisting of four scalar doublets, four scalar singlets and additional quark and lepton singlets including right-handed and Majorana neutrinos,…

A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…

This thesis deals with the Hubbard model as prototypical model to describe the physics of electrons in the two-dimensional copper-oxide planes of high-$T_c$ cuprates. To get approximate solutions, we employ functional renormalization group…

Via evaluation of the Lyapunov exponent, we report the discovery of three prominent sets of phase space regimes of quasi-periodic orbits of charged particles trapped in a dipole magnetic field. Besides the low energy regime that has been…

A gas of ultracold molecules interacting via the long-range dipolar potential offers a highly controlled environment in which to study strongly correlated phases. However, at particle coalescence the divergent $1/r^3$ dipolar potential and…

This work studies the semiclassical methods in multi-dimensional quantum systems bounded by finite potentials. By replacing the Maslov index by the scattering phase, the modified transfer operator method gives rather accurate corrections to…

We present a method to make highly accurate pseudopotentials for use with orbital-free density functional theory (OF-DFT) with given exchange-correlation and kinetic energy functionals, which avoids the compounding of errors of Kohn-Sham…

A new type of effective atomic pseudopotential for passivation of semiconductor surfaces is presented. It is shown that the spherical approximation used in the effective and empirical pseudopotential methods is not suitable for describing…

Variational perturbation theory is used to determine the decay rates of metastable states across a cubic barrier of arbitrary height. For high barriers, a variational resummation procedure is applied to the complex energy eigenvalues…

We study the scattering of a particle from a bound pair in an effective field theory using a distorted-wave renormalisation group method to find the power-counting for the three-body force terms. We find that three-body terms appear at…

The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal…