Sanjay Kumar
Articles written in Journal of Chemical Sciences
Volume 119 Issue 5 September 2007 pp 409-415
Diabatic potential energy surfaces of H+ + CO
Volume 119 Issue 5 September 2007 pp 423-431
Non-adiabatic collisions in H+ + O2 system: An 𝑎𝑏
An $ab$
Volume 121 Issue 5 September 2009 pp 797-803
Quantum mechanical study of vibrational state-resolved differential cross sections and transition probabilities for both the elastic/inelastic and the charge transfer processes have been carried out in the H+ + O2 collisions at the experimental collision energy of 23 eV. The quantum dynamics has been performed within the vibrational close-coupling rotational infinite-order sudden approximation framework employing our newly obtained quasi-diabatic potential energy surfaces corresponding to the ground and the first excited electronic states which have been computed using
Volume 124 Issue 1 January 2012 pp 11-12
Susanta Mahapatra Sanjay Kumar
Volume 128 Issue 2 February 2016 pp 287-296 Regular Articles
We present restricted geometry (collinear and perpendicular approaches of proton)
Volume 130 Issue 11 November 2018 Article ID 0149
H+ + O2 system revisited: four-state quasidiabatic potential energy surfaces and coupling potentials
The global adiabatic and quasidiabatic potential energy surfaces for the ground and first three excited (1−43 A" ) electronic states of H++ O2 system are reported on a finer grid points in the Jacobi coordinates using Dunning’s cc-pVTZ basis set and internally contracted multi-reference (single and double) configuration interaction method.
Volume 130 Issue 11 November 2018 Article ID 0155
A new ground electronic state potential energy surface of Li+ + N2 system is presented in the Jacobi scattering coordinates at MRCI level of accuracy employing the augmented correlation-consistent polarized valence quadrupole zeta (aug-cc-pVQZ) basis set. An analytic fit of the computed
Volume 135, 2023
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