Related papers: Comparative study of Rare Gas-H$_2$ triatomic comp…
The detection of electron motion and electronic wavepacket dynamics is one of the core goals of attosecond science. Recently, choosing the nitric oxide (NO) molecule as an example, we have introduced and demonstrated a new experimental…
The rovibrational kinetic energy for an arbitrary number of rigid molecules is computed. The result has the same general form as the kinetic energy in the molecular rovibrational Hamiltonian, although certain quantities are augmented to…
Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly…
Electron collisions with O$_2$ at scattering energies below 1 eV are studied in the fixed-nuclei approximation for a range of internuclear separations using the ab initio molecular R-matrix method. The $^2\Pi_g$ scattering eigenphases and…
The interaction of rarefied gases with functionalized surfaces is of great importance in technical applications such as gas separation membranes and catalysis. To investigate the influence of functionalization and rarefaction on gas flow…
This thesis has been devoted to the study of different properties of hadrons with one and two heavy quarks $c$ and/or $b$. All calculations have been done in the framework of a nonrelativistic constituent quark model. In order to check the…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
The spectrum of triatomic molecules with close rovibrational opposite parity levels is sensitive to the $\mathcal{P}$,$\mathcal{T}$-odd effects. This makes them a convenient platform for the experimental search of a new physics. Among the…
High-harmonic generation (HHG) is one of the fundamental processes at the heart of attosecond physics. Traditionally viewed as an effective single-particle effect, recent advances have focused on contributions beyond this single-particle…
Cold collisions of ground state oxygen molecules with Helium have been investigated in a wide range of cold collision energies (from 1 $\mu$K up to 10 K) treating the oxygen molecule first as a rigid rotor and then introducing the…
Precision measurements are performed on highly excited vibrational quantum states of molecular hydrogen. The $v=12, J=0-3$ rovibrational levels of H$_2$ ($X^1\Sigma_g^+$), lying only $2000$ cm$^{-1}$ below the first dissociation limit, were…
This tutorial leads the reader through the details of calculating the properties of gravitational waves from orbiting binaries, such as two orbiting black holes. Using analogies with electromagnetic radiation, the tutorial presents a…
The fundamental ground tone vibration of H2, HD, and D2 is determined to an accuracy of 2 x 10^-4 cm^-1 from Doppler-free laser spectroscopy in the collisionless environment of a molecular beam. This rotationless vibrational splitting is…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
We report on the observation of two vibrational series of pure trilobite rubidium Rydberg molecules. They are created via three-photon photoassociation and lie energetically more than 15 GHz below the atomic 22$F$ state of rubidium. In…
Richardson-Gaudin (RG) states are employed as a variational wavefunction ansatz for strongly correlated isomers of H$_4$ and H$_{10}$. In each case a single RG state describes the seniority-zero sector quite well. Simple natural orbital…
This is the manuscript of my "Habilitation \`a diriger des recherches", where I present the research work that I have done after my PhD, defended in 2009. The manuscript is divided in two parts. The first one is dedicated to…
A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
Using improved experimentally based $X{}^1\Sigma^+$ and $a{}^3\Sigma^+$ molecular potentials of NaRb, we apply the variable phase method to compute new data for low energy scattering of $^{23}$Na atoms by $^{85}$Rb atoms and $^{87}$Rb…