相关论文: A variationally computed room temperature line lis…

The differential and total cross-sections for the dp \to 3He \eta reaction have been measured in a high precision high statistics COSY-ANKE experiment near threshold using a continuous beam energy ramp up to an excess energy Q of 11.3 MeV…

The protonated Argon ion, $^{36}$ArH$^{+}$, has been identified recently in the Crab Nebula (Barlow et al. 2013) from Herschel spectra. Given the atmospheric opacity at the frequency of its $J$=1-0 and $J$=2-1 rotational transitions (617.5…

Using resonant two-step laser excitation of trapped $^{232}\mathrm{Th}^+$ ions, we observe 166 previously unknown energy levels of even parity within the energy range from 7.8 to 9.8 eV and angular momenta from $J=1/2$ to $7/2$. We also…

Absolute photoionization cross-section calculations are presented for Se$^+$ using large-scale close-coupling calculations within the Breit-Pauli and Dirac-Coulomb R-matrix approximations. The results from our theoretical work are compared…

We report calculations of energy levels, radiative rates, oscillator strengths and line strengths for transitions among the lowest 231 levels of Ti VII. The general-purpose relativistic atomic structure package ({\sc grasp}) and flexible…

We present a six-dimensional potential energy surface for the H2-H2 dimer based on ab initio electronic structure calculations. The surface is intended to describe accurately the bound and quasibound states of the dimers H2-H2, D2-D2, and…

We propose a method that exploits sparse representation of potential energy surfaces (PES) on a polynomial basis set selected by compressed sensing. The method is useful for studies involving large numbers of PES evaluations, such as the…

Laser measurements of the intensity of (201) 3$_{22}$ -- (000) 2$_{21}$ near-infrared water absorption line at 10670.1 \cm\ are made using three different Herriott cells. These measurements determine the line intensity with an standard…

The rovibrational electric dipole transitions in the ground electronic state of the HD molecule are studied. A simple, yet rigorous formula is derived for the transition rates in terms of the electric dipole moment function $D(R)$, which is…

In this work, we use the first-principle density-functional approach to study the electronic structure of a H atom adsorbed on the ideal Pt(111) and vicinal Pt(211) and Pt(331) surfaces. Full three-dimensional potential-energy surfaces (3D…

The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are…

The potential energy surface (PES) is crucial for interpreting a variety of chemical reaction processes. However, predicting accurate PESs with high-level electronic structure methods is a challenging task due to the high computational…

Accurate photodissociation cross sections have been computed for transitions from the X $^1\Sigma^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment…

The two most recently published potential energy surfaces (PESs) for the HeH$_2$ complex, the so-called MR (Muchnick and Russek) and BMP (Boothroyd, Martin, and Peterson) surfaces, are quantitatively evaluated and compared through the…

The differential cross section for proton-proton elastic scattering has been measured at a beam energy of 1.0 GeV and in 200 MeV steps from 1.6 to 2.8 GeV for centre-of-mass angles in the range from 12-16 degrees to 25-30 degrees, depending…

The energy interval between the ground and the P-wave excited states of the recently discovered positronium molecule Ps_2 is evaluated, including the relativistic and the leading logarithmic radiative corrections, E_P-E_S = 0.181 586 7(8)…

The nonrelativistic energies of the homonuclear ion T$_2^+$ are calculated for the ground state using the Lagrange-mesh method as was done for the isotopomers H$_2^+$ and D$_2^+$ ({\it J. Phys. B: At. Mol. Opt. Phys.} {\bf 45} 065101 and…

We present a 3D isotropic ab initio three-body (para-H$_2$)$_3$ interaction potential energy surface (PES). The electronic structure calculations are carried out at the correlated coupled-cluster theory level, with single, double, and…

SiC$_2$ is a fascinating molecule due to its unusual bonding and astrophysical importance. In this work, we report the first global potential energy surface (PES) for ground-state SiC$_2$ using the…

Exactly solvable rererence potentials of several smoothly joined Morse-type components were constructed for the lowest two excimer states of Ar2 molecule. The parameters of the potentials have been ascertained by fitting to the experimental…