In a recent work, we have shown that photon absorption can cause a chemical bond to be created between the two monomers within a protonated serine dimer, a process known as intra-cluster bond formation, despite this process not occurring following ther…
The potential energy curves for molecular ions up to N are calculated in an ab initio manner using the multi configurational self-consistent field method. Specifically, we implement in an automatic way a previously used double loop optimisation scheme …
In this paper, we propose a scheme to achieve selective population transfer in a Λ-type three-level atomic system with a train of periodical Gaussian pulses. Based on temporal constructive quantum interference between the sequential transitions and sub…
Angular distributions of photoelectrons emitted upon double core-hole (DCH) generation in nitrogen and oxygen molecules are studied theoretically in the frame of a molecular reference. The respective electronic structure calculations are performed by t…
A moving nucleus experiences a Lorentz contraction and spin rearrangement due to relativity. A nucleus that oscillates in a molecule or solid due to vibrations will undergo minor relativistic modifications which are a result of the vibrations, indicati…
The polarization of high harmonics generated from current-carrying state of nitric oxide molecules irradiated by linear laser fields is investigated by numerically solving the three-dimensional time-dependent Schrödinger equation. It is found that the …
The generation of highly elliptically polarized high-order harmonics (EPHHs) is indispensable for investigating chirality-sensitive light-matter interactions. Recently, high-order harmonic generation (HHG) with controllable ellipticity and helicity has…
The variations of exchange Slater integrals with respect to their order k are not well known. While direct Slater integrals Fk are positive and decreasing when the order increases, this is not stricto sensu the case for exchange integrals Gk. However, …
Photoassociation (PA) of 85Rb atoms from the ground state to the excited and states by two-color laser pulses at 100 is investigated by using quantum wavepacket method. Two pulses with detunings δ1 and δ2 varying from −1.0 to 1. cm−1 are taken into…
A systematic investigation was carried out on the elastic scattering of low- to intermediate-energy electrons ( = 0.1–1000 eV eV) by acetonitrile (CH3CN). We calculated differential (DCS), integral (ICS), momentum-transfer (MTCS), and total absorption …