Publications by authors named "Anuj Tak"
Article Synopsis
- This study presents quantum reaction probabilities for N + NN collisions, focusing on inelastic and reactive processes at total angular momentum 0 and kinetic energies up to 4.5 eV.
- The research utilizes ortho-NN species due to N's nuclear spin and examines the reactivity of -NN starting from rotational state 0.
- The findings indicate that atom exchange reactions do not occur below 2.2 eV, with 2.0 eV being optimal for inelastic scattering, while around 5.0 eV leads to the production of excited vibrational levels in a newly formed NN isotopologue.
This work emphasizes the appearance of non-adiabatic effects in the photoelectron spectra of AlN. It includes electronic structure calculations obtained on the first seven low-lying electronic states of AlN and a nuclear dynamics study utilizing time-dependent and time-independent quantum chemistry approaches. A model vibronic Hamiltonian is constructed in a diabatic electronic representation to estimate the coupling parameters corresponding to the fifteen vibrational modes of AlN.
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