Related papers: Dissociative Electron Attachment to Polyatomic Mol…
Circularly polarized femtosecond UV laser pulse can remove a {\pi} electron from benzene in such a way that the leftover hole circulates around the cation as a persistent ring current. We investigate the time dependent strength of the…
Rate coefficients for dissociative recombination and state-to-state rotational transitions of the D$_{2}^{+}$ ion induced by collisions with very low-energy electrons have been reported following our previous studies on HD$^{+}$ and…
Dissociative electron attachment (DEA) is an important tool for investigating negative ion resonances. We have studied the negative ion resonances of H2 at 10 eV and 14 eV using the improved velocity slice imaging technique. We obtained…
We investigated the dissociation of dications and trications of three polycyclic aromatic hydrocarbons (PAHs), fluorene, phenanthrene, and pyrene. PAHs are a family of molecules ubiquitous in space and involved in much of the chemistry of…
The universal scaling behavior for the electron-impact excitation cross sections of the $2s$ states of hydrogen- and helium-like multicharged ions is deduced. The study is performed within the framework of non-relativistic perturbation…
We study how d+3He beckward elastic scattering is connected with momentum distribution of the deuteron in 3He. With this aim th relativistic calculations in the framework of proton exchange is investigated. We also consider possible…
We present an all-electron study of the dynamical density-response function of hexagonal close-packed transition metals Sc and Ti. We elucidate various aspects of the interplay between the crystal structure and the electron dynamics by…
We study electron propagation in a molecular lattice model. Each molecular site involves doubly degenerate electronic states coupled to doubly degenerate molecular vibration, leading to a so--called E-e type of Jahn-Teller Hamiltonian. For…
A new state of the H$_2^+$ molecular ion with binding energy of 1.09$\times10^{-9}$ a.u. below the first dissociation limit is predicted, using highly accurate numerical nonrelativistic quantum calculations. It is the first L=0 excited…
The stretching and bending vibrations of methane are studied in a local anharmonic model of molecular vibrations. The use of symmetry-adapted operators reduces the eigenvalue problem to block diagonal form. For the 44 observed energies we…
The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that a sharp definition for the charge of molecular fragments…
Within a quasipotential framework a relativistic analysis is presented of the deuteron current. Assuming that the singularities from the nucleon propagators are important, a so-called equal time approximation of the current is constructed.…
The Jahn-Teller effect is a fascinating and ubiquitous phenomenon in modern quantum physics and chemistry. We propose a class of oxides with melilite structure Ba$_2$TGe$_2$O$_7$ (T=V,Ni) where Jahn-Teller distortions are the main…
The quasi-two-dimensional nature of the charge carriers energy spectrum in layered conductors leads to specific effects in an external magnetic field. The magnetoresistance of layered conductors in a wide range of strong magnetic fields…
We combine infrared absorption and Raman scattering spectroscopies to explore the properties of the heavy transition metal dichalcogenide 1T-HfS$_2$. We employ the LO-TO splitting of the $E_u$ vibrational mode along with a reevaluation of…
In this work we investigate 1+2 reactions within the framework of the hyperspherical adiabatic expansion method. To this aim two integral relations, derived from the Kohn variational principle, are used. A detailed derivation of these…
The ability to partially oxidize methane at low temperatures and pressures would have important environmental and economic applications. Although methane oxidation on gold nanoparticles has been observed experimentally, our density…
Recent advances in the production of twisted electron beams with a subnanometer spot size offer unique opportunities to explore the role of orbital angular momentum (OAM) in basic atomic processes. In the present work, we address one of…
This account presents author's opinion on the mechanism of the H-abstraction from methane by the [FeO](2+) group. In the course of reaction with hydrogen, the Fe-O bond in the ferryl configuration becomes elongated causing transfer of the…
The results of an experiment on inclusive electron scattering from an oxygen jet target, performed in a wide range of energy and momentum transfer covering both quasi-elastic and $\Delta$(1232) resonance regions, are reported. In the former…