Related papers: A four-dimensional potential energy surface for th…
Chloronium (H$_2$Cl$^+$) is an important intermediate of Cl-chemistry in space. The accurate knowledge of its collisional properties allows a better interpretation of the corresponding observations in interstellar clouds and therefore a…
We explore the possible existence of light $\phi$-mesic nuclei using HAL QCD $\phi N$ interactions for the $^2S_{1/2}$ and $^4S_{3/2}$ channels. Particularly, using the Faddeev formalism in configuration space, the $\phi NN$ system, and…
We present quantum mechanical close-coupling calculations of collisions between two hydrogen molecules over a wide range of energies, extending from the ultracold limit to the super-thermal region. The two most recently published potential…
We have calculated the three-dimensional potential energy surface (PES) for the fission of compound nucleus $^{236}$U using the covariant density functional theory with constraints on the axial quadrupole and octupole deformations…
Detailed semi-empirical interaction potential calculations are performed to determine the potential energy surface experienced by the molecules CO, HCN, H2O and H2CO, when adsorbed on the basal plane (0001) of graphite at low temperature.…
In this work we investigate small clusters of helium atoms using the hyperspherical harmonic basis. We consider systems with $A=2,3,4,5,6$ atoms with an inter-particle potential which does not present a strong repulsion at short distances.…
Deep Inelastic Neutron Scattering measurements on liquid $^3$He-$^4$He mixtures in the normal phase have been performed on the VESUVIO spectrometer at the ISIS pulsed neutron source at exchanged wavevectors of about $q \simeq 120.0$…
We present calculations of rotational absorption spectra of the molecules HCN and DCN in superfluid helium-4, using a combination of the Diffusion Monte Carlo method for ground state properties and an analytic many-body method (Correlated…
New Early Dark Energy (NEDE) is a component of vacuum energy at the electron volt scale, which decays in a first-order phase transition shortly before recombination [arXiv:1910.10739]. The NEDE component has the potential to resolve the…
We present an isotropic ab initio (para-H$_2$)$_4$ four-body interaction potential energy surface (PES). The electronic structure calculations are performed at the correlated coupled-cluster theory level, with single, double, and…
Helium excimers generated by a corona discharge were investigated in the gas and normal liquid phases of helium as a function of temperature and pressure between 3.8 and 5.0 K and 0.2 and 5.6 bar. Intense fluorescence in the visible region…
Ground state energies for confined hydrogen (H) and helium (He) atoms, inside a penetrable/impenetrable compartment have been calculated using Diffusion Monte Carlo (DMC) method. Specifically, we have investigated spherical and ellipsoidal…
We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the calculation of excited-state wavefunctions and energies. We…
The design of accurate helium-solute interaction potentials for the simulation of chemically complex molecules solvated in superfluid helium has long been a cumbersome task due to the rather weak but strongly anisotropic nature of the…
Full-dimensional (12D) vibrational states of the methanol molecule (CH$_3$OH) have been computed using the GENIUSH-Smolyak approach and the potential energy surface from Qu and Bowman (2013). All vibrational energies are converged better…
We demonstrate that the intricate energy spectrum of neutron-rich helium isotopes can be straightforwardly described by taking advantage of the low-energy properties of neutron-neutron interaction and the scale separation that is present in…
We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is obtained from density functional theory calculations. Two…
He-4 is known to become superfluid at very low temperatures. This effect is now generally accepted to be connected with BEC (Bose-Einstein Condensation). The dispersion relation of pressure waves in superfluid He-4 has been determined at…
The differential cross section and the analyzing power are calculated for elastic scattering of $^6$He from a proton target using a microscopic folding optical potential, in which the $^6$He nucleus is described in terms of a $^4$He-core…
We report results of both Diffusion Quantum Monte Carlo(DMC) method and Reptation Quantum Monte Carlo(RMC) method on the potential energy curve of the helium dimer. We show that it is possible to obtain a highly accurate description of the…