Thesis Collection
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Browsing by Author "Lemus, R."
Now showing items 1-6 of 6
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An algebraic approach applied to the determination of the polarizability in CO2
Lemus, R.; Sánchez Castellanos, M.; Carvajal Zaera, Miguel
(IOP Publishing, 2014)
A local algebraic approach to describe vibrational excitations of molecules presenting both local and normal mode behaviors is presented. This approach allows the connection with configuration space to be established. ... -
Equivalent rotations associated with the permutation inversion group revisited: symmetry projection of the rovibrational functions of methane
Álvarez Bajo, Osiris; Lemus, R.; Carvajal Zaera, Miguel; Pérez Bernal, Francisco (Taylor & Francis, 2011)
In this work the analysis of the equivalent rotations from the permutation inversion group formalism is revisited. We emphasize that explicit knowledge of changes in the Euler angles are not required in order to determine ... -
A novel connection between algebraic spectroscopic parameters and force constants in the description of vibrational excitations of linear triatomic molecules
Sánchez Castellanos, M.; Lemus, R.; Carvajal Zaera, Miguel; Pérez Bernal, Francisco (Elsevier, 2009-01)
A connection between an algebraic approach to the dynamics of triatomic molecules based on the U(2)×U(3)×U(2) Lie algebra and the traditional description in configuration space is presented. The connection is established ... -
The Potential Energy Surface of CO2 from an algebraic approach
Sánchez Castellanos, M.; Lemus, R.; Carvajal Zaera, Miguel; Pérez Bernal, Francisco (Wiley-Blackwell, 2012-05)
The potential energy surface (PES) for the ground state of the 12C 16O2 molecule is estimated through an algebraic approach based on unitary groups.It is shownthat a purely algebraic approachmay lead to a unphysical ... -
A study of the Raman spectrum of CO2 using an algebraic approach
Sánchez Castellanos, M.; Lemus, R.; Carvajal Zaera, Miguel; Pérez Bernal, Francisco; Fernández, J. M. (Elsevier, 2012-10)
The vibrational Raman spectrum of CO2 is calculated by means of the alge- braic model U(2) × U(3) × U(2). The Hamiltonian and the molecular polariz- ability tensor operators are expanded in terms of symmetry coordinates, ... -
Symmetry projection of the rovibrational functions of methane
Álvarez Bajo, Osiris; Lemus, R.; Carvajal Zaera, Miguel; Pérez Bernal, Francisco (American Institute of Physics, 2010)
In this work we propose a symmetry projection approach to build a rovibrational basis for methane. In our method, symmetry adapted functions are obtained by simultaneous diagonalization of a set of commuting operators, ...
