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N. Balakrishnan

Publications and source records attributed to N. Balakrishnan.

57 records · Page 4Linked to original sources

Close-coupling calculations of low-energy inelastic and elastic processes in $^4$He collisions with H$_2$: A comparative study of two potential energy surfaces

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 investigation of atom-diatom collision processes. The BMP surface is expected to be an improvement, approaching chemical accuracy, over all conformations of the PES compared to that of the MR surface. We found significant differences in inelastic rovibrational cross sections computed on the two surfaces for processes dominated by large changes in target rotational angular momentum. In particular, the H$_2$($ν=1, j=0$) total quenching cross section computed using the BMP potential was found to be a factor of $~$1000 larger than that obtained with the MR surface.

astro-ph↗

Chemical reactivity of ultracold polar molecules: investigation of H + HCl and H + DCl collisions

Quantum scattering calculations are reported for the H+HCl(v,j=0) and H+DCl(v,j=0) collisions for vibrational levels v=0-2 of the diatoms. Calculations were performed for incident kinetic energies in the range 10-7 to 10-1 eV, for total angular momentum J=0 and s-wave scattering in the entrance channel of the collisions. Cross sections and rate coefficients are characterized by resonance structures due to quasibound states associated with the formation of the H...HCl and H...DCl van der Waals complexes in the incident channel. For the H+HCl(v,j=0) collision for v=1,2, reactive scattering leading to H_2 formation is found to dominate over non-reactive vibrational quenching in the ultracold regime. Vibrational excitation of HCl from v=0 to v=2 increases the zero-temperature limiting rate coefficient by about 8 orders of magnitude.

physics.chem-ph↗

Rate coefficients for rovibrational transitions in H_2 due to collisions with He

We present quantum mechanical and quasiclassical trajectory calculations of cross sections for rovibrational transitions in ortho- and para-H_2 induced by collisions with He atoms. Cross sections were obtained for kinetic energies between 10^-4 and 3 eV, and the corresponding rate coefficients were calculated for the temperature range 100<T<4000 K. Comparisons are made with previous calculations.

astro-ph↗