Related papers: Fully analytic G$_0$W$_0$ nuclear gradients
The total cross section for Coulomb photoproduction of neutral pion pairs in the reaction gamma A --> pi0 pi0 A is estimated within the effective chiral lagrangian approach. The amplitude of gamma gamma* --> pi0 pi0 with one off-shell…
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree-Fock and…
Angular correlations for low-energy neutron induced $\gamma$ reactions are calculated using nuclear reaction formalism for multi level neutron capture with arbitrary multiplicities of $\gamma$ transitions. We confirm previous calculations…
Introduction Theory of electromagnetic excitation and dissociation (Inelastic scattering at high energies: one-photon exchange, semiclassical approach and Glauber theory; Higher order electromagnetic effects, small xi-approximation)…
We review some simple mechanisms of breakup in nuclear reactions. We mention the spectator breakup, which is described in the post-form DWBA. The relation to other formulations is also indicated. An especially important mechanism is Coulomb…
We solve the Dyson equation for atoms and diatomic molecules within the GW approximation, in order to elucidate the effects of self-consistency on the total energies and ionization potentials. We find GW to produce accurate energy…
Atomic properties of $n=3$ states of the W$^{56+}$ $-$ W$^{61+}$ ions are systematically investigated through two state-of-the-art methods, namely, the second-order many-body perturbation theory, and the multi-configuration…
Using effective-lagrangian techniques we perform a systematic survey of the lowest-dimension effective interactions through which heavy physics might manifest itself in present experiments. We do not restrict ourselves to special classes of…
Using the semiclassical neutral atom theory, we extend to fourth order the modified gradient expansion of the exchange energy of density functional theory. This expansion can be applied both to large atoms and solid-state problems.…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…
We point out that confusion sometimes arises when using a chemical potential in plasma with Coulomb interactions. The results of our consideration are applied to the discussion of nuclear reactions screening. Finally, we present a…
Coulomb dissociation is an especially simple and important reaction mechanism. Since the perturbation due to the electric field of the nucleus is exactly known, firm conclusions can be drawn from such measurements. Electromagnetic matrix…
We extend the QCD Parton Model analysis by employing a factorized nuclear structure model that explicitly accounts for both individual nucleons and correlated nucleon pairs. This novel framework establishes a paradigm that directly links…
In this paper we develop a geometric approach to higher order mechanics on graded bundles in both, the Lagrangian and Hamiltonian formalism, via the recently discovered weighted algebroids. We present the corresponding Tulczyjew triple for…
This work is an application of the second order gauge theory for the Lorentz group, where a description of the gravitational interaction is obtained which includes derivatives of the curvature. We analyze the form of the second field…
A procedure based on the recently developed ``adaptive'' time-dependent density-matrix-renormalization-group (DMRG) technique is presented to calculate the zero temperature conductance of nanostructures, such as a quantum dots (QD's) or…
The analytical R-matrix (ARM) theory has been known for an efficient description of the Coulomb effects of the atomic core in strong-field ionization in the nonrelativistic regime. We generalize the ARM theory into the relativistic domain…
On the basis of first-principles GW calculations, we study the quasiparticle properties of the guanine, adenine, cytosine, thymine, and uracil DNA and RNA nucleobases. Beyond standard G0W0 calculations, starting from Kohn-Sham eigenstates…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…
We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic…