Symmetry projection of the rovibrational functions of methane
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, whose representation is given in terms of direct products of Wigner’s D functions...
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2010 |
| País: | España |
| Institución: | Universidad de Huelva (UHU) |
| Repositorio: | Arias Montano. Repositorio Institucional de la Universidad de Huelva |
| Idioma: | inglés |
| OAI Identifier: | oai:ariasmontano.uhu.es:10272/9782 |
| Acceso en línea: | http://hdl.handle.net/10272/9782 |
| Access Level: | acceso abierto |
| Palabra clave: | Methane Symmetry projection Rovibrational functions |
| Sumario: | 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, whose representation is given in terms of direct products of Wigner’s D functions and vibrational matrix representations provided by a local scheme. The proposed approach is general and permits to obtain in a systematic fashion an orthonormal set of symmetry-projected functions, with good total angular momentum, and carrying the irreducible representations of the molecular symmetry group. |
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