Related papers: Dissociation and ionization of small molecules ste…
The radiation-induced damages in bio-molecules are ubiquitous processes in radiotherapy, radio-biology and critical to space-projects. In this study we present a precise quantification of the fragmentation mechanisms of deoxyribonucleic…
The process of ionization of a hydrogen atom by a short infrared laser pulse is studied in the regime of very large pulse intensity, in the dipole approximation. Let $A$ denote the integral of the electric field of the pulse over time at…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
In this paper we study the ionization rate and the Stark shift of a one-dimensional model of the H$_{2}^{+}$ ion. The finding of these two quantities is reduced to the solutions of a complex eigenvalue problem. We solve this problem both…
Ionization of highly charged relativistic ions by neutral atoms and ions is considered. Numerical results of recently developed computer codes based on the relativistic Born and the equivalent-photon approximations are presented. The…
We assess the partition function and ionization degree of magnetized hydrogen atoms at thermodynamic equilibrium for a wide range of field intensities, $B\approx 10^5$-$10^{12}$~G. Evaluations include fitting formulae for an arbitrary…
A theoretical comparison of the electronic excitation and ionisation behaviour of molecular hydrogen oriented either parallel or perpendicular to a linear polarised laser pulse is performed. The investigation is based on a non-perturbative…
The dissociation spectrum of the hydrogen molecular ion by short intense pulses of infrared light is calculated. The time-dependent Schr\"odinger equation is discretized and integrated in position and momentum space. For few-cycle pulses…
Hybrid ion-atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an…
We consider the emission or absorption of $n$ identical bosons from an energetic or a massive particle, in which the bosons and the source particle are allowed to be offshell. The Bose-Einstein symmetrized amplitude can be decomposed into…
Anion and cation emission following water dissociation was studied for 6.6-keV $^{16}$O$^{+}$ + H$_{2}$O collisions. Absolute cross sections for the emission of all positively and negatively charged fragments, differential in both energy…
New method for dissociation of diatomic molecule based on nonperiodic excitation generated by energy-feedback control mechanism is proposed. The energy-feedback control uses frequency-energy (FE) relation of the natural oscillations to…
We theoretically investigate the laser wavelength dependence of asymmetric dissociation of H$_2^+$. It is found that the electron localization in molecular dissociation is significantly manipulated by varying the wavelength of the driving…
We have implemented three variants of the exterior complex scaling procedure in prolate spheroidal coordinates (PS-ECS) to study the dissociative electron impact ionization-excitation of hydrogen molecule, where the emerging electrons and…
Photoionization by high-energy photons creates nonthermal electrons with a broad range of energies that heat and chemically transform the atmospheres of planets. The specifics of the interactions are notably different when the gas is atomic…
We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…
The ionization of a hydrogen-like heavy ion by impact of a charged projectile under simultaneous irradiation by a short laser pulse is investigated within the non-perturbative approach, based on numerical solutions of the time-dependent…
We address a molecular dissociation mechanism that is known to occur when a H 2 molecule approaches a catalyst with its molecular axis parallel to the surface. It is found that molecular dissociation is a form of quantum dynamical phase…
Water autoionization plays a critical role in determining pH and properties of various chemical and biological processes occurring in the water mediated environment. The strikingly unsymmetrical potential energy surface of the dissociation…
We perform ab initio calculations for the hydrogen atom initially in one of the six circular bound states with the principal quantum numbers n = 2, 3 and 4, irradiated by a short circularly polarized laser pulse of 400 nm. The field…