dc.contributor.author | Revuelta, F. | |
dc.contributor.author | Vergini, E. G. | |
dc.contributor.author | Benito, R. M. | |
dc.contributor.author | Borondo, Florentino | |
dc.contributor.other | UAM. Departamento de Química | es_ES |
dc.date.accessioned | 2017-08-08T07:02:49Z | |
dc.date.available | 2017-08-08T07:02:49Z | |
dc.date.issued | 2017-01-05 | |
dc.identifier.citation | Journal of Chemical Physics 146.1 (2017): 014107 | en_US |
dc.identifier.issn | 0021-9606 (print) | es_ES |
dc.identifier.issn | 1089-7690 (online) | es_ES |
dc.identifier.uri | http://hdl.handle.net/10486/679266 | |
dc.description.abstract | In this paper, we extend a method recently reported [F. Revuelta et al., Phys. Rev. E 87, 042921 (2013)] for the calculation of the eigenstates of classically highly chaotic systems to cases of mixed dynamics, i.e., those presenting regular and irregular motions at the same energy. The efficiency of the method, which is based on the use of a semiclassical basis set of localized wave functions, is demonstrated by applying it to the determination of the vibrational states of a realistic molecular system, namely, the LiCN molecule | en_US |
dc.description.sponsorship | We acknowledge financial support of the Spanish Ministry of Economy and Competitiveness (MINECO) under Contract Nos. MTM2012-39101 and MTM2015-63914-P and ICMAT Severo Ochoa under Contract No. SEV-2015-0554 | en_US |
dc.format.extent | 14 pag. | es_ES |
dc.format.mimetype | application/pdf | en |
dc.language.iso | eng | en |
dc.publisher | American Institute of Physics Inc. | en_US |
dc.relation.ispartof | Journal of Chemical Physics | en_US |
dc.rights | © 2017 Author(s) | en_US |
dc.subject.other | Basis sets | en_US |
dc.subject.other | Eigenstates | en_US |
dc.subject.other | Localized wave functions | en_US |
dc.subject.other | Molecular systems | en_US |
dc.subject.other | Vibrational state | en_US |
dc.title | Semiclassical basis sets for the computation of molecular vibrational states | en_US |
dc.type | article | en |
dc.subject.eciencia | Química | es_ES |
dc.relation.publisherversion | http://dx.doi.org/10.1063/1.4973376 | es_ES |
dc.identifier.doi | 10.1063/1.4973376 | es_ES |
dc.identifier.publicationfirstpage | 014107 | es_ES |
dc.identifier.publicationissue | 1 | es_ES |
dc.identifier.publicationlastpage | 014107 | es_ES |
dc.identifier.publicationvolume | 146 | es_ES |
dc.relation.projectID | Gobierno de España. MTM2012-39101 | es_ES |
dc.relation.projectID | Gobierno de España. MTM2015-63914-P | es_ES |
dc.relation.projectID | Gobierno de España. SEV-2015-0554 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | en |
dc.rights.accessRights | openAccess | en |
dc.authorUAM | Borondo, Florentino (260097) | |
dc.authorUAM | Vergini , Eduardo German (265217) | |
dc.facultadUAM | Facultad de Ciencias | |
dc.institutoUAM | Instituto de Ciencias Matemáticas (ICMAT) | |