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• W1978224511 abstract "The carbon dioxide Raman spectrum is simulated within an algebraic approach based on curvilinear coordinates in a local representation. The two main advantages of the present algebraic approach are a possible connection with configuration space and the correct description of systems with either local or normal mode character. The system Hamiltonian and polarizability tensor are expanded in terms of curvilinear coordinates. The curvilinear coordinates are in turn expanded into normal coordinates, obtaining an algebraic representation in terms of normal bosonic operators. A canonical transformation maps the operators into a local algebraic representation. The final step is an anharmonization procedure to local operators. The Raman spectrum of CO2 has been simulated, obtaining results close to experimental accuracy, and polarizability transition moments for the Raman spectral lines between 1150 cm(-1) and 1500 cm(-1) are reported. The comparison between experimental and simulated spectra has provided six new CO2 experimental vibrational terms." @default.
• W1978224511 created "2016-06-24" @default.
• W1978224511 creator A5026709721 @default.
• W1978224511 creator A5029486270 @default.
• W1978224511 creator A5029567800 @default.
• W1978224511 creator A5043212306 @default.
• W1978224511 creator A5049775484 @default.
• W1978224511 date "2014-08-06" @default.
• W1978224511 modified "2023-10-18" @default.
• W1978224511 title "Simulation of the Raman spectra of CO₂: Bridging the gap between algebraic models and experimental spectra" @default.
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