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Marko Horbatsch

Publications and source records attributed to Marko Horbatsch.

30 records · Page 2Linked to original sources

Electron capture and ionization cross-section calculations for proton collisions from methane and the DNA and RNA nucleobases

Net ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We use the recently introduced independent-atom-model pixel counting method to calculate these cross sections in the 10 keV to 10 MeV impact energy range and compare them with results obtained from the simpler additivity rule, a previously used complete-neglect-of-differential-overlap method, and with experimental data and previous calculations where available. It is found that all theoretical results agree reasonably well at high energies, but deviate significantly in the low-to-intermediate energy range. In particular, the pixel counting method which takes the geometrical overlap of atomic cross sections into account is the only calculation that is able to describe the measurements for capture in proton-methane collisions down to 10 keV impact energy. For the nucleobases it also yields a significantly smaller cross section in this region than the other models. New measurements are urgently required to test this prediction.

physics.atm-clus↗

Proton-impact-induced electron emission from biologically relevant molecules studied with a screened independent atom model

We use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including pyrimidines, purines, amino acids, and nucleotides from 10 keV to 10 MeV impact energy. Overall good agreement with experimental data, where available, is found. A scaling prescription that involves coefficients derived from the independent atom model is shown to represent the cross section results better than scalings based on the number of (bonding) valence electrons of the target molecules. It is shown that the scaled net ionization cross sections of the proton-nucleotide collision systems can be represented in terms of a simple analytical formula with four parameters to within 3% accuracy.

physics.atm-clus↗

A screened independent atom model for the description of ion collisions from atomic and molecular clusters

We apply a recently introduced model for an independent-atom-like calculation of ion-impact electron transfer and ionization cross sections to proton collisions from water, neon, and carbon clusters. The model is based on a geometrical interpretation of the cluster cross section as an effective area composed of overlapping circular disks that are representative of the atomic contributions. The latter are calculated using a time-dependent density-functional-theory-based single-particle description with accurate exchange-only ground-state potentials. We find that the net capture and ionization cross sections in p-X$_n$ collisions are proportional to $n^α$ with $2/3 \le α\le 1$. For capture from water clusters at 100 keV impact energy $α$ is close to one, which is substantially different from the value $α=2/3$ predicted by a previous theoretical work based on the simplest-level electron nuclear dynamics method. For ionization at 100 keV and for capture at lower energies we find smaller $α$ values than for capture at 100 keV. This can be understood by considering the magnitude of the atomic cross sections and the resulting overlaps of the circular disks that make up the cluster cross section in our model. Results for neon and carbon clusters confirm these trends. Simple parametrizations are found which fit the cross sections remarkably well and suggest that they depend on the relevant bond lengths.

physics.atm-clus↗

Stark resonance parameters for the $3a_{1}$ orbital of the water molecule

The Stark resonance parameters for the $3a_{1}$ molecular orbital of H$_{2}$O are computed by solving a system of partial differential equations in spherical polar coordinates. The starting point of the calculation is the quantum potential derived for this orbital from a single-center expanded Hartree-Fock orbital. The resonance positions and widths are obtained after applying an exterior complex scaling technique to describe the ionization regime for external fields applied along the two distinct $\hat{z}$ directions associated with the symmetry axis. The procedure thus avoids the computation of multi-center integrals, yet takes into account the geometric shape of a simplified molecular orbital in the field-free case.

physics.chem-ph↗

Proton radius from electron-proton scattering and chiral perturbation theory

We determine the root-mean-square proton charge radius, $R_{\rm p}$, from a fit to low-$Q^2$ electron-proton elastic scattering cross section data with the higher moments fixed (within uncertainties) to the values predicted by chiral perturbation theory. We obtain $R_{\rm p}=0.857(11)$ fm. This number falls between the value obtained from muonic hydrogen analyses and the CODATA value (based upon atomic hydrogen spectroscopy and electron-proton scattering determinations).

nucl-th↗

Calculation of Stark resonance parameters for valence orbitals of the water molecule

An exterior complex scaling technique is applied to compute Stark resonance parameters for two molecular orbitals ($1b_{1}$ and $1b_{2}$) represented in the field-free limit in a single-center expansion. For electric DC field configurations that guarantee azimuthal symmetry of the solution the calculation is carried out by solving a two-dimensional partial differential equation in spherical polar coordinates using a finite-element method. The resonance positions and widths as a function of electric field strengths are shown for field strengths starting in the tunnelling ionization regime, and extending well into the over-barrier ionization region.

physics.atom-ph↗

Calculation of electron-positron production in supercritical uranium-uranium collisions near the Coulomb barrier

The time-dependent Dirac equation was solved for zero-impact-parameter bare U-U collisions in the monopole approximation using a mapped Fourier grid matrix representation. A total of 2048 states including bound, as well as positive- and negative-energy states for an N=1024 spatial grid were propagated to generate occupation amplitudes as a function of internuclear separation. From these amplitudes spectra were calculated for total inclusive positron and electron production, and also the correlated spectra for ($e^+,e^-$) pair production. These were analyzed as a function of nuclear sticking time in order to establish signatures of spontaneous pair creation, i.e., QED vacuum decay. Subcritical Fr-Fr and highly supercritical Db-Db collisions both at the Coulomb barrier were also studied and contrasted with the U-U results.

physics.atom-ph↗

Relativistic corrections to the Zeeman splitting of hyperfine structure levels in two-fermion bound-state systems

A relativistic theory of the Zeeman splitting of hyperfine levels in two-fermion systems is presented. The approach is based on the variational equation for bound states derived from quantum electrodynamics [1]. Relativistic corrections to the g-factor are obtained up to O(alpha^2). Calculations are provided for all quantum states and for arbitrary fermionic mass ratio. In the one-body limit our calculations reproduce the formula for the g-factor (to O((Z*alpha)^2)) obtained from the Dirac equation. The results will be useful for comparison with high-precision measurements.

hep-ph↗

Supercritical Dirac resonance parameters from extrapolated analytic continuation methods

The analytic continuation methods of complex scaling (CS), smooth exterior scaling (SES), and complex absorbing potential (CAP) are investigated for the supercritical quasimolecular ground state in the U(92+)-Cf(98+) system at an internuclear separation of R=20 fm. Pade approximants to the complex-energy trajectories are used to perform an extrapolation of the resonance energies, which, thus, become independent of the respective stabilization parameter. Within the monopole approximation to the two-center potential is demonstrated that the extrapolated results from SES and CAP are consistent to a high degree of accuracy. Extrapolated CAP calculations are extended to include dipole and quadrupole terms of the potential for a large range of internuclear separations R. These terms cause a broadening of the widths at the permille level when the nuclei are almost in contact, and at the % level for R values where the ground state enters the negative continuum.

physics.atom-ph↗

Hyperfine Structure and Zeeman Splitting in Two-Fermion Bound-State Systems

A relativistic wave equation for bound states of two fermions with arbitrary masses which are exposed to a magnetic field is derived from quantum electrodynamics. The interaction kernels are based upon the generalized invariant M-matrices for inter-fermion and fermion-field interactions. As an application we calculate the energy corrections in a weak homogeneous B field to obtain the Zeeman splitting of the hyperfine structure and g-factors in the lowest order (i.e. to alpha^4). Lande g-factors are presented for several of the first excited states of hydrogen, muonium, and muonic-hydrogen.

hep-ph↗

Bound-State Variational Wave Equation For Fermion Systems In QED

We present a formulation of the Hamiltonian variational method for QED which enables the derivation of relativistic few-fermion wave equation that can account, at least in principle, for interactions to any order of the coupling constant. We derive a relativistic two-fermion wave equation using this approach. The interaction kernel of the equation is shown to be the generalized invariant M-matrix including all orders of Feynman diagrams. The result is obtained rigorously from the underlying QFT for arbitrary mass ratio of the two fermions. Our approach is based on three key points: a reformulation of QED, the variational method, and adiabatic hypothesis. As an application we calculate the one-loop contribution of radiative corrections to the two-fermion binding energy for singlet states with arbitrary principal quantum number $n$, and $l =J=0$. Our calculations are carried out in the explicitly covariant Feynman gauge.

hep-th↗

A New Atom Trap: The Annular Shell Atom Trap (ASAT)

In the course of exploring some aspects of atom guiding in a hollow, optical fiber, a small negative potential energy well was found just in front of the repulsive or guiding barrier. This results from the optical dipole and the van der Waals potentials. The ground state for atoms bound in this negative potential well was determined by numerically solving the Schrodinger eq. and it was found that this negative well could serve as an atom trap. This trap is referred to as the Annular Shell Atom Trap or ASAT because of the geometry of the trapped atoms which are located in the locus of points defining a very thin annular shell just in front of the guiding barrier. A unique feature of the ASAT is the compression of the atoms from the entire volume to the volume of the annular shell resulting in a very high density of atoms in this trap. This trap may have applications to very low temperatures using evaporative cooling and possibly the formation of BEC. Finally, a scheme is discussed for taking advantage of the de Broglie wavelength to store atoms in a bottle trap based on the inability of long de Broglie wavelengths to escape through a selective de Broglie wavelength filter in the atom bottle trap.

physics.atom-ph↗