Related papers: Atomic momentum distributions in polyatomic molecu…
Water is often viewed as a collection of monomers interacting electrostatically with each other. We compare the water proton momentum distributions from recent neutron scattering data with those calculated from two electronic structure…
The dynamics of chaotic Hamiltonian systems such as the kicked rotor continues to guide our understanding of transport and localization processes. The localized states of the quantum kicked rotor decay due to decoherence effects if…
Applied magnetic fields can couple to atomic displacements via generalized Lorentz forces, which are commonly expressed as gyromagnetic $g$ factors. We develop an efficient first-principles methodology based on density-functional…
In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…
We show that the angular momentum distribution of neutral atoms, in the sense of occupation numbers, follows the Thomas-Fermi angular momentum distribution in the limit of large atomic number. In particular, we show that the angular…
Another manifestation of the Aharonov-Bohm effect is introduced to chemistry, in fact to nuclear dynamics and high-resolution molecular spectroscopy. As demonstrated, the overall rotation of a symmetric-top molecule influences the dynamics…
We investigate rotational state changes in a single collision of diatomic molecular ions, polar or apolar, with an atomic ion. Rotational state changes may occur since the angular degree of freedom of the molecular ions interacts with the…
The problem of correlation between quantum states of four-atomic molecules in different geometrical configurations is reviewed in detail. A general, still simple rule is obtained which allows one to correlate states of a linear four-atomic…
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
Atomic diffusion is usually understood as a succession of random, independent displacements of an adatom over the surface's potential energy landscape. Nevertheless, an analysis of Molecular Dynamics simulations of self-diffusion on Cu(111)…
Resonant scattering of optically state-prepared and aligned molecules in the cold regime allows the most detailed interrogation and control of bimolecular collisions. This technique has recently been applied to collisions of two aligned…
Atomic nuclei can be spontaneously deformed into non-spherical shapes as many-nucleon systems. We discuss to what extent a similar deformation takes place in many-electron systems. To this end, we employ several many-body methods, such as…
The elastic scattering of twisted electrons by diatomic molecules is studied within the framework of the non-relativistic first Born approximation. In this process, the coherent interaction of incident electrons with two molecular centers…
We propose a method for sorting electrons by orbital angular momentum (OAM). Several methods now exist to prepare electron wavefunctions in OAM states, but no technique has been developed for efficient, parallel measurement of pure and…
We show that two-particle interferences can be used to probe the nuclear motion in a doubly-excited hydrogen molecule. The dissociation of molecular hydrogen by electron impact involves several decay channels, associated to different…
The dynamics of non-polar diatomic molecules interacting with a far-detuned narrow-band laser field, that only may drive rotational transitions, is studied. The rotation of the molecule is considered both classically and quantum…
Nonlinear ion-acoustic waves are analyzed in a non-relativistic magnetized quantum plasma with arbitrary degeneracy of electrons. Quantum statistics is taken into account by means of the equation of state for ideal fermions at arbitrary…
The paper proposes the method to analyze the internal dynamics of nanoscopic systems by periodic modulation of the electrochemical potentials of the attached leads and measuring the time-averaged current. The idea is presented using the…
An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure while provides rovibrational resolution. Initial classical…
A new debate has recently arisen on the subject of orbital angular momentum in QCD, in particular on its observability and on its partonic interpretation. Orbital momentum can be defined in QCD using two different decomposition schemes that…