相关论文: Selective Bond-Breaking in Formic Acid by Dissocia…
The mechanism of f-electron delocalization is investigated within the multi-orbital Anderson lattice model by means of diagrammatic perturbation theory from the atomic limit. The derived equations couple the intra-atomic transition…
This account presents author's opinion on the mechanism of the H-abstraction from methane by the [FeO](2+) group. In the course of reaction with hydrogen, the Fe-O bond in the ferryl configuration becomes elongated causing transfer of the…
Due to the severe self-interaction errors associated with some density functional approximations, conventional density functionals often fail to dissociate the hemibonded structure of water dimer radical cation (H2O)2+ into the correct…
We report on the realization of a strongly interacting quantum degenerate gas of fermionic atoms in a three-dimensional optical lattice. We prepare a band-insulating state for a two-component Fermi gas with one atom per spin state per…
We have observed three Feshbach resonances in collisions between lithium-6 and sodium-23 atoms. The resonances were identified as narrow loss features when the magnetic field was varied. The molecular states causing these resonances have…
We describe a mechanism by which fermions in topologically trivial bands can form correlated states exhibiting a fractional quantum Hall (FQH) effect upon introduction of strong repulsive interactions. These states are solid-liquid…
Feshbach resonances play a vital role in the success of cold atoms investigating strongly-correlated physics. The recent observation of their solid-state analog in the scattering of holes and intralayer excitons in transition metal…
The formation of $O^{-}$ and $O_{2}^{-}$ ions via dissociative electron attachment to a pulsed supersonic jet of $O_{2}$ molecules containing weakly bound small van der Waals clusters seeded in a beam of argon is reported. The energy…
Selective activation and controlled functionalization of C-H bonds in organic molecules is one of the most desirable processes in synthetic chemistry. Despite progress in heterogeneous catalysis using metal surfaces, this goal remains…
Antagonistic salts are composed of hydrophilic and hydrophobic ions. In a mixture solvent (water-oil) such ion pairs are preferentially attracted to water or oil, giving rise to a coupling between the charge density and the composition.…
We study the breakup of $\text{H}_2^+$ exposed to super-intense, femtosecond laser pulses with frequencies greater than that corresponding to the ionization potential. By solving the time-dependent Schr\"odinger equation in an extensive…
Formic acid (HCOOH) and carbon dioxide (CO2) are simple species that have been detected in the interstellar medium. The solid-state formation pathways of these species under experimental conditions relevant to prestellar cores are primarily…
The global potential energy surfaces of the first six singlet electronic states of CO$_2$, 1---3$^1/!A'$ and 1---3$^1/!A"$ are constructed using high level ab initio calculations. In linear molecule, they correspond to…
A quantitative theoretical study of the dissociative recombination of SH$^+$ with electrons has been carried out. Multireference, configuration interaction calculations were used to determine accurate potential energy curves for SH$^+$ and…
We consider the long-range states expected for complexes formed from an alkali-metal diatomic molecule in a singlet state and an alkali-metal atom. We explore the structure of the Hamiltonian for such systems, and the couplings between the…
We reveal the existence of high-density Feshbach resonances in the collision between the ground and metastable states of $^{171}$Yb and coherently produce the associated Feshbach molecules by photoassociation. The extremely small transition…
The low-mass protostellar region L1527 is unusual because it contains observable abundances of unsaturated carbon-chain molecules including CnH radicals, H2Cn carbenes, cyanopolyynes, and the negative ions C4H- and C6H-, all of which are…
We study numerically the effect of on-site Hubbard interaction U between two electrons in the quasiperiodic Harper's equation. In the periodic chain limit by mapping the problem to that of one electron in two dimensions with a diagonal line…
In order to better understand their potential formation in combustion systems, a detailed kinetic mechanism for the formation of short-chain monocarboxylic acids, formic (HCOOH), acetic (CH3COOH), propionic (C2H5COOH) and propenic…
We investigate the dissociation of $H_2^+$ into a proton and a $H^0$ after single ionization with photons of an energy close to the threshold. We find that the $p^+$ and the $H^0$ do not emerge symmetrically in case of the $H_2^+$…