We perform electron-molecule collision calculations involving small molecule and molecular ion targets to study electron induced processes such as elastic scattering, electronic and vibrational excitation, dissociation etc. using the R-matrix method. Our main interest lies in the of study these processes for molecules and molecular ions relevant for low temperature plasmas that occur in astrophysics, industry and edge plasmas in fusion devices such as JET, ITER etc. We also study other collision induced processes such as dissociative recombination (DR) and dissociative electron attachment (DEA) in collaboration with other groups using molecular data from our structure calculations.
Molecular structure calculations
We perform calculations for molecular states, both bound and resonant, using the R-matrix method. Particularly, our data on the neutral and anionic resonant states, which are known to be important for DR and DEA, are used by other groups for DR and DEA calculations.
Contact
Associate Professor Kalyan Kumar CHAKRABARTI
Department of Mathematics, Scottish Church College, 1 & 3 Urquhart Square, Kolkata 700 006, India Email: kkch.atmol@gmail.com
References
[1] D. A. Little et al., "Dissociative recombination of N2+: An ab initio study", Physical Review A90, 052705 (2014). [link to article]
[2] K. Chakrabarti and J. Tennyson, "R-matrix calculation of bound and resonant states of BeH", Journal of Physics B: Atomic, Molecular and Optical Physics48, 235202 (2015). [link to article]
[3] A. Dora, J. Tennyson and K. Chakrabarti, "Higher lying resonances in low-energy electron scattering with carbon monoxide", The European Physical Journal D70, 197 (2016). [link to article]
[4] S. Niyonzima et al., "Low-energy collisions between electrons and BeH+: Cross sections and rate coefficients for all the vibrational states of the ion", Atomic Data and Nuclear Data Tables115-116, 287-308 (2017). [link to article]
[5] V. Laporta et al., "Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH+ ion", Plasma Physics and Controlled Fusion59, 045008 (2017). [link to article]
[6] D. O. Kashinski et al., "A theoretical study of the dissociative recombination of SH with electrons through the 2Π states of SH", The Journal of Chemical Physics146, 204109 (2017). [link to article]
[7] K. Chakrabarti et al., "R-matrix study of electron impact excitation and dissociation of CH+ ions", Journal of Physics B: Atomic, Molecular and Optical Physics50, 175202 (2017). [link to article]
[8] D. Gupta et al., "An R-matrix study of electron induced processes in BF3 plasma", Physics of Plasmas24, 123511 (2017). [link to article]
[9] S. Niyonzima et al., "Low-energy collisions between electrons and BeD+", Plasma Sources Science and Technology27, 025015 (2018). [link to article]
[10] K. Chakrabarti et al., "Dissociative recombination of the CH+ molecular ion at low energy", Journal of Physics B: Atomic, Molecular and Optical Physics51, 104002 (2018). [link to article]