相关论文: Structure and thermochemistry of K$_2$Rb, KRb$_2$ …
We consider ultracold, chemically reactive scattering collisions of the diatomic molecules KRb. When two such molecules collide in an ultracold gas, we find that they are energetically forbidden from reacting to form the trimer species…
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…
A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at…
We study ultracold long-range collisions of heteronuclear alkali-metal dimers with a reservoir gas of alkali-metal Rydberg atoms in a two-photon laser excitation scheme. In a low density regime where molecules remain outside the Rydberg…
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…
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…
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…
The momentum-space structure of the Faddeev-Yakubovsky (FY)components of weakly-bound tetramers is investigated at the unitary limit using a renormalized zero-range two-body interaction. The results, obtained by considering a given trimer…
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…
In a previous work [Phys. Rev. A 85, 022502 (2012)] we calculated, with the use of our Gaussian expansion method for few-body systems, the energy levels and spatial structure of the 4He trimer and tetramer ground and excited states using…
Fully understanding a chemical reaction on the quantum level is a long-standing goal in physics and chemistry. Experimental investigation of such state-to-state chemistry requires both the preparation of the reactants and the detection of…
How does a chemical reaction proceed at ultralow temperatures? Can simple quantum mechanical rules such as quantum statistics, single scattering partial waves, and quantum threshold laws provide a clear understanding for the molecular…
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…
We theoretically characterize interactions, energetics, and chemical reaction paths in ionic two-body and three-body systems of alkali-metal and alkaline-earth-metal atoms in the context of modern experiments with cold hybrid ion-atom…
We propose an experimentally realizable scheme to produce triatomic ultralong-range Rydberg molecules (TURM), formed in ultracold KRb traps. A near resonant coupling of the non-zero quantum defect Rydberg levels with the KRb molecule in N=0…
We present calculations of the magnetic ground states of Cr trimers in different geometries on top of a Au(111) surface. By using a least square fit method based on a fully relativistic embedded-cluster Green's function method first we…
Rydberg molecules, Rydberg-atom or Rydberg-molecule, are an essential ingredient of cold molecular sciences. However, due to the richness of Rydberg-neutral interactions, new kinds of Rydberg molecules and binding mechanisms are still to be…
We report continuous direct photoassociative formation of ultracold KRb molecules in the lowest vibrational levels $(v"=0 -10)$ of the electronic ground state $(X ^1\Sigma^+)$, starting from $^{39}$K and $^{85}$Rb atoms in a magneto-optical…
Structural calculations and high-resolution infrared spectra are reported for trimers and tetramers containing CO$_2$ together with CO and/or N$_2$. Among the 9 clusters studied here, only (CO$_2$)$_2$-CO was previously observed by…
We have carried out collinear and non-collinear electronic structure calculations to investigate the structural, electronic and magnetic properties of isolated Cr atoms, dimers and compact trimers. We find that the Cr monomer prefers to…