Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Bombín, Raúl"'
Publikováno v:
The Journal of Physical Chemistry C (2024)
Using ab initio molecular dynamics (AIMD) simulations, based on density functional theory that also accounts for van der Waals interactions, we study the oxidation of gas phase CO on MoSe$_2$ with a Se vacancy and oxygen coverage of 0.125~ML. In the
Externí odkaz:
http://arxiv.org/abs/2409.14362
Autor:
Langen, Tim, Boronat, Jordi, Sánchez-Baena, Juan, Bombín, Raúl, Karman, Tijs, Mazzanti, Ferran
We simulate a molecular Bose-Einstein condensate in the strongly dipolar regime, observing the existence of self-bound droplets, as well as their splitting into multiple droplets by confinement-induced frustration. Our quantum Monte Carlo approach go
Externí odkaz:
http://arxiv.org/abs/2407.09391
We study the interplay between the anisotropy of the dipole-dipole interaction and confinement in a curved geometry by means of the extended Gross-Pitaevskii equation, which allows us to characterize the ground state of a dipolar Bose gas under the c
Externí odkaz:
http://arxiv.org/abs/2312.12164
Publikováno v:
Physical Review A 109 033312 (2024)
We present a quantum Monte Carlo based density functional to describe droplet formation and supersolidity in dipolar systems. The usual Lee-Huang-Yang term, accounting for quantum correlations in the conventional extended Gross-Pitaievskii equation (
Externí odkaz:
http://arxiv.org/abs/2311.04597
Publikováno v:
Physycal Review B 108, 045409 (2023)
Using many-body perturbation theory and density functional perturbation theory, we study the vibrational spectra of the internal stretch (IS) mode of CO on Pd(111) for the bridge and hollow adsorption structures that are experimentally identified at
Externí odkaz:
http://arxiv.org/abs/2304.10845
Publikováno v:
Physical Review B,107, L121404 (2023)
In time-resolved pump-probe vibrational spectroscopy the internal stretch mode of polar molecules is utilized as a key observable to characterize the ultrafast dynamics of adsorbates on surfaces. The adsorbates non-adiabatic intermode couplings are t
Externí odkaz:
http://arxiv.org/abs/2211.12192
Publikováno v:
Phys. Rev. B 105, 035404 (2022)
Two dimensional transition metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO, H$_2$, O$_2$, a
Externí odkaz:
http://arxiv.org/abs/2110.06569
Publikováno v:
Phys. Rev. A 103, 041302 (2021)
We study the repulsive Fermi polaron in a two-component, two-dimensional system of fermionic atoms inspired by the results of a recent experiment with $^{173}$Yb atoms [N. Darkwah Oppong \textit{et al.}, Phys. Rev. Lett. \textbf{122}, 193604 (2019)].
Externí odkaz:
http://arxiv.org/abs/2008.10510
Publikováno v:
Phys. Rev. A 102, 047302 (2020)
This is a Reply to the Comment from F. Cinti and M. Boninsegni on our recent work on the Berezinskii-Kosterlitz-Thouless (BKT) phase transition in a two-dimensional dipolar system [R.Bomb\'in, F. Mazzanti and J. Boronat, Physical Review A 100, 063614
Externí odkaz:
http://arxiv.org/abs/2007.01746
Autor:
Bombín, Raúl
The object of study of this thesis are dipolar systems in the quantum degenerate regime. In general, dealing with many-body systems and evaluating their properties requires to deal with the Schr\"odinger equation. In the present study we employ diffe
Externí odkaz:
http://arxiv.org/abs/2002.01378