Heavy Particle Impact Vibrational Excitation and Dissociation Processes in CO2
A heavy particle impact vibrational excitation and dissociation model for CO2 is presented.
This state-to-state model is based on the forced harmonic oscillator (FHO) theory, which is …
This state-to-state model is based on the forced harmonic oscillator (FHO) theory, which is …
Novel Criteria to Provide a Locality/Normality Degree in Molecules and Their Relevance in Physical Chemistry
E Suárez, O Guzmán-Juárez, R Lemus - Molecules, 2024 - pmc.ncbi.nlm.nih.gov
In contrast to the traditional analysis of molecules using local mode behavior, where the
degree of locality is given through a function in terms of Morse potential parameters, new …
degree of locality is given through a function in terms of Morse potential parameters, new …
A Spectroscopic Description of Asymmetric Isotopologues of CO2
M Bermúdez-Montaña… - The Journal of …, 2023 - ACS Publications
A polyad-conserving algebraic model applied to vibrational excitations of asymmetric
isotopologues of CO2 is presented. First, the problem of vibrational excitations is studied by …
isotopologues of CO2 is presented. First, the problem of vibrational excitations is studied by …
An algebraic alternative for the accurate simulation of CO2 Raman spectra
We present an accurate simulation of the Raman spectrum of the carbon dioxide molecule in
the 1150–1500 cm− 1 spectral range, comparing the results obtained using the three polyad …
the 1150–1500 cm− 1 spectral range, comparing the results obtained using the three polyad …
Fundamental studies of vibrational resonance phenomena by multivalued resummation of the divergent Rayleigh–Schrödinger perturbation theory series: deciphering …
A fundamental quantitative study of the vibrational resonances of three H216O H, D-
isotopologues with a quartic Watson Hamiltonian was carried out using the resummation of …
isotopologues with a quartic Watson Hamiltonian was carried out using the resummation of …
Hypofluorous acid (HOF): A molecule with a rare (1,-2,-1) vibrational resonance and (8, 3, 2) polyad structure revealed by Padé-Hermite resummation of divergent …
A quantitative study of the vibrational resonance phenomena of the HOF (hypoflorous acid)
molecule for over 100 of its lower vibrational energy levels was carried out using …
molecule for over 100 of its lower vibrational energy levels was carried out using …
Connection between the su(3) algebraic and configuration spaces: bending modes of linear molecules
MM Estévez-Fregoso, R Lemus - Molecular Physics, 2018 - Taylor & Francis
An approach to connect the dynamical group–used to describe the bending modes of linear
molecules–with configuration space is discussed. The group may be seen as a …
molecules–with configuration space is discussed. The group may be seen as a …
A study of the local to normal mode transition in pyramidal molecules and their vibrational description in terms of an algebraic model
O Guzmán-Juárez, E Suárez, R Lemus - Journal of Molecular Spectroscopy, 2023 - Elsevier
First a new perspective to study the local to normal mode transition in the series of pyramidal
molecules is presented. Then a full study of the vibrational excitations of the series of …
molecules is presented. Then a full study of the vibrational excitations of the series of …
[HTML][HTML] Algebraic DVR approaches applied to piecewise potentials: symmetry and degeneracy
Algebraic discrete variable representation (DVR) methods that have been recently proposed
are applied to describe 1D and 2D piecewise potentials. First, it is shown that it is possible to …
are applied to describe 1D and 2D piecewise potentials. First, it is shown that it is possible to …
Algebraic DVR Approaches Applied to Describe the Stark Effect
Two algebraic approaches based on a discrete variable representation are introduced and
applied to describe the Stark effect in the non-relativistic Hydrogen atom. One approach …
applied to describe the Stark effect in the non-relativistic Hydrogen atom. One approach …