Related papers: Core repulsion effects in alkali trimers
The helium trimer is studied using two- and three-body soft-core potentials. Realistic helium-helium potentials present an extremely strong short-range repulsion and support a single, very shallow, bound state. The description of systems…
Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom…
We investigate theoretically the combination of first-order quadrupole-quadrupole and second-order dipole-dipole effects on the long-range electrostatic interactions between a ground-state homonuclear alkali-metal dimer and an excited…
Homonuclear spin-polarized alkali-metal trimers in their lowest-lying electronic state are investigated theoretically. Their equilibrium geometries and binding energies are determined with the state-of-the-art quantum chemical methods at…
We find that energy surfaces of more than two atoms or molecules interacting via dipole-dipole po- tentials generically possess conical intersections (CIs). Typically only few atoms participate strongly in such an intersection. For the…
The repulsive interaction between two atoms at short distances is studied in order to explore the range of validity of standard first-principles simulation techniques and improve the available short-range potentials for the description of…
We investigate the energetics of reactions involving pairs of alkali metal dimers. Atom exchange reactions to form homonuclear dimers are energetically allowed for some but not all of the heteronuclear dimers. We carry out high-level…
The three-body recombination coefficient of a trapped ultracold atomic system, together with the corresponding two-body scattering length $a$, allow us to predict the energy $E_3$ of the shallow trimer bound state, using a universal scaling…
The quantum mechanics of three interacting particles gives rise to interesting universal phenomena, such as the staircase of Efimov trimers predicted in the context of nuclear physics and observed in ultracold gases. Here, we observe a…
We study the energetics of chemical reactions between ultracold ground-state alkaline-earth-metal diatomic molecules. We show that the atom-exchange reactions forming homonuclear dimers are energetically allowed for all heteronuclear…
In one spatial dimension, quantum systems with an attractive three-body contact interaction exhibit a scale anomaly. In this work, we examine the few-body sector for up to six particles. We study those systems with a self-consistent,…
A potential energy surface for the lowest quartet electronic state of lithium trimer is developed and used to study spin-polarized Li + Li_2 collisions at ultralow kinetic energies. The potential energy surface allows barrierless atom…
Alkali trimers, Ak$_3$, located on the surface of He nanodroplets are triply ionized following multiphoton absorption from an intense femtosecond laser pulse leading to fragmentation into three correlated Ak$^+$ ions. Combining the…
Ultralong-range Rydberg trimer molecules are spectroscopically observed in an ultracold gas of Cs($nd_{3/2}$) atoms. The atomic Rydberg state anisotropy allows for the formation of angular trimer states, whose energies may not be obtained…
Incorporation of catalytically active materials into plasmonic metal nanostructures can efficiently merge the reactivity and energy harvesting abilities of both types of materials for visible light photocatalysis. Here we explore the…
Calculations are presented which use the molecular R-matrix with pseudo-states (MRMPS) method to treat electron impact electron detachment and electronic excitation of the carbon dimer anion. Resonances are found above the ionisation…
Electron removal in collisions of alpha particles with neon dimers is studied using an independent-atom-independent-electron model based on the semiclassical approximation of heavy-particle collision physics. The dimer is assumed to be…
Ultracold collisions of neutral atoms and molecules have been of great interest since experimental advances enabled the cooling and trapping of such species. This study is a theoretical investigation of a low-energy collision between an…
We show that the interaction of polar alkali dimers in the quintet spin state leads to the formation of a deeply bound reaction complex. The reaction complex can decompose adiabatically into homonuclear alkali dimers (for all molecules…
The repulsive short distance core is one of the main paradigms of nuclear physics which even seems confirmed by QCD lattice calculations. On the other hand nuclear potentials at short distances are motivated by high energy behavior where…