相关论文: Selective Bond-Breaking in Formic Acid by Dissocia…

Ultracold molecules can be associated from ultracold atoms by ramping the magnetic field through a Feshbach resonance. A reverse ramp dissociates the molecules. Under suitable conditions, more than one outgoing partial wave can be…

For topologically nontrivial and very narrow bands, Coulomb repulsion between electrons has been predicted to give rise to a spontaneous fractional quantum-Hall (FQH) state in absence of magnetic fields. Here we show that strongly…

Experimental cross sections for m-fold photodetachment (m=2-5) of oxygen anions via K-shell excitation and ionization were measured in the photon-energy range of 525-1500 eV using the photon-ion merged-beams technique at a synchrotron light…

Experimental cross sections for $m$-fold photodetachment ($m=3-6$) of silicon anions via $K$-shell excitation and ionization were measured in the photon-energy range of 1830-1900 eV using the photon-ion merged-beams technique at a…

A theoretical study of elastic electron collisions with 9 conformers of the gas-phase amino acid $\alpha$-alanine (CH$_3$CH(NH$_2$)COOH) is performed. The eigenphase sums, resonance features, differential and integral cross sections are…

Coulomb repulsion between the unevenly-bounded bonding "-" and nonbonding ":" electron pairs in the "O2- : H+/p-O2-" hydrogen-bond is found to originate the anomalies of low-compressibility, phonon relaxation dynamics, proton symmetrization…

We first argue that the covalent bond and the various closed-shell interactions can be thought of as symmetry broken versions of one and the same interaction, viz., the multi-center bond. We use specially chosen molecular units to show that…

In this work we show that the molecular chemical bond formation and dissociation in presence of the d-band of a metal catalyst can be described as a Quantum Dynamical Phase Transition (QDPT). This agree with DFT calculations that predict…

Associative electronic detachment (AED) between anions and neutral atoms leads to the detachment of the anion's electron resulting in the formation of a neutral molecule. It plays a key role in chemical reaction networks, like the…

Half-Heusler(HH) alloys have shown promising thermoelectric properties in the medium and high temperature range. To harness these material properties for thermoelectric applications, it is important to realize electrical contacts with low…

Chemical bonds are considered in light of correlation of valence electrons that is strengthened when the bond is dissociated. In the framework of the unrestricted Hartree-Fock single-reference version of the configuration interaction…

Coulomb repulsion between the unevenly-bound bonding and nonbonding electron pairs in the O:H-O hydrogen-bond is shown to originate the anomalies of ice under compression. Consistency between experimental observations, density functional…

An effective Hamiltonian is considered for hydrogen bonding between two molecules due to the quantum mechanical interaction between the orbitals of the H-atom and the donor and acceptor atoms in the molecules. The Hamiltonian acts on two…

We used the multichannel quantum defect theory to compute cross sections and rate coefficients for the dissociative recombination of CH$^+$ initially in its lowest vibrational level $v_i^+ = 0$ with electrons of incident energy bellow $0.2$…

We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF$_3$Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric…

The reactive collisions of the CH$^+$ molecular ion with electrons is studied in the framework of the multichannel quantum defect theory, taking into account the contribution of the core-excited Rydberg states. In addition to the…

Anion hydration is complicated by H-bond donation between neighboring water molecules in addition to H-bond donation to the anion. This situation can lead to competing structures for chemically simple clusters like (H$_2$O)$_n$Cl$^-$ and to…

The variation with energy of the total cross section for elastic electron scattering from atoms of several elements is caused primarily by shape resonances corresponding to the formation of temporary negative ions. It is shown that such…

Pair operators for boson and fermion atoms generate SU(1,1) and SU(2) Lie algebras, respectively. Consequently, the pairing of boson and fermion atoms into diatomic molecules via Feshbach resonances, produces SU(1,1) and SU(2) coherent…

We solve a two-body problem for electrons in a one-dimensional system to show that two-electron bound states can arise as a result of the image-potential-induced spin-orbit interaction (iSOI). The iSOI contributes an attractive component to…