相关论文: A four-dimensional potential energy surface for th…
The properties of deexcitation of the same $^{220}$Th compound nucleus (CN) formed by different mass (charge) asymmetric reactions are investigated. It is demonstrated that the effective fission barrier $<B_{\rm fis}>$ value being a…
We compute ground and excited state properties of small helium clusters 4He_N containing a single benzene impurity molecule. Ground-state structures and energies are obtained for N=1,2,3,14 from importance-sampled, rigid-body diffusion…
The dicarbon molecular anion is currently of interest as a candidate for laser cooling due to its electronic structure and favorable branching ratios to the ground electronic and vibrational states. Helium has been proposed as a buffer gas…
The activation and dissociation of H2 molecules on Cu(001) surface is studied theoretically. The activation barrier for the dissociation of H2 on Cu(001) is determined by first-principles calculations to be ~ 0.59 eV in height. Electron…
By means of a Quadratic Diffusion Monte Carlo method we have performed a comparative analysis between the Aziz potential and a revised version of it. The results demonstrate that the new potential produces a better description of the…
The differential cross section in the transverse momentum $Q$ and a total cross section of $(31\pm4)$ mb for the coherent dissociation of a 3-A-GeV/$c$ $^7$Li nucleus through the $^3$H$+^4$He channel have been measured on emulsion nuclei.…
This paper investigates the impacts of the different surface energy coefficients on the compound nucleus decay modes during heavy ion fusion reactions, with focus given to the superheavy nuclei (SHN) in the range of $Z=112-118$. The…
The article presents an improved theoretical description of dissociative recombination of HCO$^+$ and DCO$^+$ ions with a low energy electron. In the previous theoretical study (Phys. Rev. A {\bf 74}, 032707) on HCO$^+$, the vibrational…
We aim to obtain accurate rate coefficients for the collisional excitation of CH+ by He for high gas temperatures. The ab initio coupled-cluster [CCSD(T)] approximation was used to compute the interaction potential energy. Cross sections…
We find the threshold structure of the two- and three-nucleon systems, with the deuteron and 3H/3He as the only bound nuclei, sufficient to predict a pair of four-nucleon states: a deeply bound state which is identified with the helium-4…
Theoretical rotational quenching cross sections and rate coefficients of ortho- and para-H$_2$O due to collisions with He atoms are presented. The complete angular momentum close-coupling approach as well as the coupled-states approximation…
We report combined studies on the prototypical S(^1D_2) + H2 insertion reaction. Kinetics and crossed-beam experiments are performed in experimental conditions approaching the cold energy regime, yielding absolute rate coefficients down to…
Isocyanic acid (HNCO) is a simple molecule with a potential to form prebiotic and complex organic species. Using a spectral survey collected with the Atacama Pathfinder EXperiment (APEX), in this work we report the detection of 42…
We have measured the dependence of the relative integral cross section of the reaction Li+HF-->LiF+H on the collision energy using crossed molecular beams. By varying the intersection angle of the beams from 37{\deg} to 90{\deg} we covered…
A new nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) for silane have been generated using high-level \textit{ab initio} theory. The PES, CBS-F12$^{\,\mathrm{HL}}$, reproduces all four fundamental term values…
The nonrelativistic energy together with relativistic and quantum electrodynamic corrections for all the molecular hydrogen isotopologues (D$_2$, T$_2$, HD, HT, DT) were evaluated without expansion in the electron-nucleus mass ratio. The…
We found, within the plane-wave first Born approximation (PWFBA), that the proton-helium fully differential cross section (FDCS) for transfer excitation agrees well with the experimental one at the proton energy Ep = 300 keV and small…
A variational solution to the rovibrational problem in curvilinear vibrational coordinates has been implemented and used to investigate the nuclear motions in several linear triatomic molecules, like HCN, OCS, and HCP. The dependence of the…
We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the…
We have calculated the ground-state energy of the doubly magic nuclei 4He, 16O and 40Ca within the framework of the Goldstone expansion starting from various modern nucleon-nucleon potentials. The short-range repulsion of these potentials…