[en] This paper reports that an exact quantum close coupling calculation is carried out for rotational excitation in Ne–HF collisions on the available anisotropic potential. Partial cross sections are obtained separately at the incident energies of 48.35, 75, 120 and 150 meV. The reliability of the results is demonstrated by comparison with previously published theoretical findings. Based on the calculations, the effect of the potential energy surface on the excitation partial cross sections is discussed in detail

[en] Close-coupling equation and anisotropic potential developed in our previous research are applied to HF-³He (⁴He, ⁶He, ⁸He, ¹⁰He) collision system, and partial cross sections (PCSs) at the incident energy of 40 meV are calculated. By analyzing the differences of these PCSs, change rules of PCSs with the increase of partial wave number, and with the change of the mass of isotope substitution helium atom are obtained. The results show that excitation PCSs converge faster than elastic PCSs for collision energy and each of systems considered here. Also excitation PCSs converge more rapidly for high-excited states. Tail effect is present only in elastic scattering and low-excited states but not in high-excited states. With the increase of the mass of isotope substitution helium atom, converging speed of elastic, total inelastic, and state-to-state excitation PCS slows down, and the maxima of these PCSs undergoes a regular change. (atomic and molecular physics)

[en] The anisotropic potential developed in our previous research and the close-coupling method are applied to the HBr^-3 He (⁴ He, ⁵ He, ⁶ He, ⁷ He) system, and the partial cross sections (PCSs) at the incident energy of 60 meV are calculated. Based on the calculations, the influences of the isotope helium atom on PCSs are discussed in detail. The results show that the excitation PCSs converge faster than the elastic PCSs for the collision energy and the systems considered here. Also the excitation PCSs converge more rapidly for the high-excited states. The tail effect is present only in elastic scattering and low-excited states but not in high-excited states. With the increase of reduced mass of the collision system, the converging speed of the elastic and excitation PCSs slows down, and the tail effect goes up. (atomic and molecular physics)

[en] The line intensities of 0010-0000 transition of the symmetric-top PH₃ molecule at several temperature were calculated by directly calculating the partition functions and regarding the rotationless transition dipole moment squared as a constant. The calculated values of the total internal partition sums (TIPS) are consistent with the data of HITRAN database with -0.075% at 296 K. The calculated line intensities data at 1000 K and 3000 K are also in excellent agreement with the data in HITRAN database, which provide a strong support for the calculations of partition function and line intensity at high temperature. Then we extended the calculation to higher temperature. The line intensities and simulated spectra of υ₃ band of the symmetric-top PH₃ molecule at 4000 and 5000 K were reported. The results are of significance for the studying of the molecular high-temperature spectrum including experimental measurements and theoretical calculation. (authors)