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We present ionization cross sections for antiproton and helium collisions based on ab-initio time-dependent coupled channel method. In our calculations a finite basis set of regular helium Coulomb wave packets and Slater function were used.…
New X-ray observatories (Chandra and XMM-Newton) are providing a wealth of high-resolution X-ray spectra in which hydrogen- and helium-like ions are usually strong features. We present results from a new collisional-radiative plasma code,…
Self-consistency based Kohn-Sham density functional theory (KS-DFT) electronic structure calculations with Gaussian basis sets are reported for a set of 17 protein-like molecules with geometries obtained from the protein data bank. It is…
It is shown that, in the self-consistent quantum statistical Hartree-Fock approximation, the number of electronic states localized on one nucleus is finite. This result is obtained on the basis of the general electron-nuclear model of…
Mutual entrainment effects in hot neutron-proton superfluid mixtures are studied in the framework of the self-consistent nuclear energy-density functional theory. The local mass currents in homogeneous or inhomogeneous nuclear systems,…
Doping compounds can be considered a perturbation to the nuclear charges in a molecular Hamiltonian. Expansions of this perturbation in a Taylor series, i.e. quantum alchemy, has been used in literature to assess millions of derivative…
In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is…
The configuration interaction relativistic Hartree-Fock (CI-RHF) model is developed in this work. Compared to the conventional configuration interaction shell model (CISM), the CI-RHF model can be applied to study the structural properties…
Collective many-body dynamics for time-dependent quantum Hamiltonian functions is investigated for a dynamical system that exhibits multiple degrees of freedom, in this case a combined (Paul and Penning) trap. Quantum stability is…
A long-wavelength, low energy hamiltonian is derived to describe the dynamic of a single hole in a quantum antiferromagnet in two or higher spatial dimensions. In this {\em exactly solvable} limit a {\em new} kind of symmetry is important…
In the present study we generalize the self-consistent Hartree-Fock-Bogoliubov (HFB) theory formulated in the coordinate space to the case which incorporates an arbitrary mixing between protons and neutrons in the particle-hole (p-h) and…
Proton momentum distributions of the $^{12}C$, $^{16}O$, $^{40}Ca$, $^{56}Fe$ and $^{208}$Pb nuclei are calculated by a model using the natural orbital representation and the experimental data for the momentum distribution of the $^{4}He$…
We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the calculation of excited-state wavefunctions and energies. We…
We have performed self-consistent calculations for first and second row atoms using a variant of density-functional theory, the optimized effective potential method, with an approximation due to Krieger, Li and Iafrate and a…
We present a comprehensive investigation of electron capture (EC) ratios spanning a broad range of atomic numbers. The study employs a self-consistent computational method that incorporates electron screening, electron correlations, overlap…
We present a new method to calculate the total ion-ion interaction potential in terms of building blocks which we refer to as "single-particle interaction potentials". This allows also to compose the separate contributions from neutrons and…
We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…
Highly accurate results from frequency measurements on neutral hydrogen molecules H_2, HD and D_2 as well as the HD^+ ion can be interpreted in terms of constraints on possible fifth-force interactions. Where the hydrogen atom is a probe…
We show that the Hartree-Fock (HF) results cannot be reproduced within the framework of Kohn-Sham (KS) theory because the single-particle densities of finite systems obtained within the HF calculations are not $v$-representable, i.e., do…
This contribution presents the latest predictions for several QCD processes at low-x in the color dipole picture which are of interest for current hadron-hadron and future electron-hadron colliders. The predictions are derived using the…