Potential energy curves of molecular nitrogen for singly and doubly ionized states with core and valence holes

D Bhattacharya, KR Shamasundar… - The Journal of …, 2021 - ACS Publications
Theoretical description of potential energy curves (PECs) of molecular ions is essential for
interpretation and prediction of coupled electron-nuclear dynamics following ionization of …

Electron ionization dynamics of and molecules: Velocity-map imaging

JN Bull, JWL Lee, C Vallance - Physical Review A, 2015 - APS
This paper reports a crossed-beam velocity-map imaging study into the electron ionization
dynamics of jet-cooled N 2 and O 2 molecules at electron collision energies from 35 to 100 …

Charge symmetric dissociation of doubly ionized N2 and CO molecules

A Pandey, B Bapat, KR Shamasundar - The Journal of Chemical …, 2014 - pubs.aip.org
We report a comparative study of the features in dissociative double ionization by high
energy electron impact of N 2 and CO molecules. The ratio of cross-section of charge …

High resolution spectroscopy and structure of molecular dications

SG Cox, ADJ Critchley, PS Kreynin… - Physical Chemistry …, 2003 - pubs.rsc.org
The structure and reactivity of molecular dications has been the subject of increasing
attention from theoreticians and experimentalists. We consider vibrationally resolved spectra …

The infrared spectrum of HCl2+ and its isotopomers

FR Bennett, IR McNab - Chemical physics letters, 1996 - Elsevier
We report ab initio calculations of potential energy and dipole functions for the lowest four
electronic states of the doubly charged molecule (molecular dication) HCl2+. Spectroscopic …

Double charge transfer spectroscopy of acetylene dication C2H22+ at vibrational resolution

O Furuhashi, T Kinugawa, S Masuda, C Yamada… - Chemical physics …, 2001 - Elsevier
We have observed a vibrational progression of C2H22+ with double charge transfer (DCT)
spectroscopy. From an exploratory calculation, the progression is assigned to the symmetric …

Third‐order generalized Van Vleck perturbation theory variant of multireference perturbation theory for electron correlation

YG Khait, W Jiang, MR Hoffmann - International Journal of …, 2009 - Wiley Online Library
A third-order approximation to the generalized Van Vleck perturbation theory (GVVPT3)
variant of multireference perturbation theory treatment of dynamic electron correlation is …

Probing high-lying N2++ and CO++ states via energy-selective fragment spectra

A Pandey, K Saha, B Bapat, P Kumar… - Journal of Physics B …, 2016 - iopscience.iop.org
Dissociation of molecular ions from highly excited states is difficult to probe, so our
knowledge of their dynamical evolution and the parameters governing the dissociation is …

Double charge transfer spectroscopy of NO2+ at vibrational resolution: application of Franck–Condon analyses to a dicationic system

O Furuhashi, T Kinugawa, T Hirayama, T Koizumi… - Chemical physics, 2003 - Elsevier
Double charge transfer spectra of NO2+ were observed using 1.5-keV H+ projectiles. The
vibrational progression of the X 2Σ+ state was resolved. For the unresolved vibrational …

Theoretical study of electronic states of N22+ in an intense radiation field

W Jiang, YG Khait, MR Hoffmann - The Journal of chemical physics, 2007 - pubs.aip.org
The Floquet states of N 2 2+ created by the interactions of the six lowest singlet (⁠ 1 Σ g+
1⁠, 1 Δ g 1⁠, 2 Σ g+ 1⁠, 1 Π u 1⁠, 1 Π g 1⁠, and 1 Σ u− 1⁠) states of the dication with …