Multistate vibronic Hamiltonian for the nitrate radical

Permalink

https://hdl.handle.net/2142/59150

Title: Multistate vibronic Hamiltonian for the nitrate radical
Author(s): Stanton, John F.
Issue Date: 2014-06-16
Keyword(s): Radicals
Abstract: "The quasidiabatic model of K{\""o}ppel, Domcke and Cederabaum has proven to be a powerful tool for computing intensities and level positions in electronic spectra involving strong vibronic coupling effects. The model has been used, as parametrized by very high-level equation-of-motion coupled cluster (EOM-CC) calcaultions, is demonstrated by applications to the NO$_3$ radical."
Publisher: International Symposium on Molecular Spectroscopy
Type of Resource: text
Language: en
Permalink: http://hdl.handle.net/2142/59150
DOI: https://doi.org/10.15278/isms.2014.MI15
Copyright and License Information: Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/