A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3E')
Standard single-valued double many-body expansion (DMBE) theory has been extended to allow an accurate representation of a double-valued potential energy surface. With this new theory, the degeneracy of the two sheets along the conical intersection line can be guaranteed by construction. The method...
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| Outros Autores: | , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2005
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| Texto completo: | http://hdl.handle.net/10316/5112 |
| País: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/5112 |