2020
DOI: 10.1002/jrs.5801
|View full text |Cite
|
Sign up to set email alerts
|

An algebraic alternative for the accurate simulation of CO2 Raman spectra

Abstract: 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 schemes found in the literature of this molecule. The description of the molecule with the algebraic U1(2)×U(3)×U2(2) local model encompasses both stretching and bending degrees of freedom. A detailed analysis of the Hamiltonian interactions for the three polyad schemes provides fittings with root mean square deviations in the range 0… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
1

Citation Types

0
16
0

Year Published

2020
2020
2025
2025

Publication Types

Select...
7
1

Relationship

5
3

Authors

Journals

citations
Cited by 15 publications
(16 citation statements)
references
References 76 publications
0
16
0
Order By: Relevance
“…Therefore, the 2DVM can tackle the feature-rich large-amplitude bending spectrum of nonrigid species [55,56]. This approach has also been used to model coupled benders [57][58][59] or the coupling between bending and stretching degrees of freedom [60][61][62][63].…”
Section: Ground-and Excited-state Quantum Phase Transitions In the An...mentioning
confidence: 99%
“…Therefore, the 2DVM can tackle the feature-rich large-amplitude bending spectrum of nonrigid species [55,56]. This approach has also been used to model coupled benders [57][58][59] or the coupling between bending and stretching degrees of freedom [60][61][62][63].…”
Section: Ground-and Excited-state Quantum Phase Transitions In the An...mentioning
confidence: 99%
“…An extension to four-body operators of the algebraic Hamiltonian, used in the present work, has been recently published [34]. The 2DVM has also been used for the modeling of coupled benders [28,[35][36][37], stretch-bend interations [38][39][40][41], and the transition state in isomerization reactions [42].…”
Section: Introductionmentioning
confidence: 99%
“…An extension to four-body operators of the algebraic Hamiltonian, used in the present work, has been recently published [33]. The 2DVM has also been used for the modeling of coupled benders [27,[34][35][36], stretch-bend interations [37][38][39][40], and the transition state in isomerization reactions [41].…”
Section: Introductionmentioning
confidence: 99%