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Uncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms

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cris.author.scopus-author-id8666063900
cris.author.scopus-author-id7003962645
cris.virtual.author-orcid0000-0002-9298-2122
cris.virtual.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtual.departmentIndian Institute of Technology, Madras
cris.virtual.department#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtualsource.author-orcid81b1e2ac-0a29-4ab2-b7b2-c3e77159be73
cris.virtualsource.author-orcid#PLACEHOLDER_PARENT_METADATA_VALUE#
cris.virtualsource.department81b1e2ac-0a29-4ab2-b7b2-c3e77159be73
cris.virtualsource.department#PLACEHOLDER_PARENT_METADATA_VALUE#
dc.contributor.authorMangala Sunder Krishnan
dc.contributor.authorCarrington, Tucker
dc.date.accessioned2023-09-20T05:52:17Z
dc.date.available2023-09-20T05:52:17Z
dc.date.issued15-06-1997
dc.description.abstractIn this paper we extend methods we have developed [J. Chem. Phys. 94 (1991) 461; 98 (1993) 83] for studying the spectra of molecules with two modes coupled by Coriolis and centrifugal terms. Combining a transformation method due to Bogoliubov and Tyablikov (BT) and perturbation theory we calculate ro-vibrational energy levels of molecules (formal-dehyde and thioformaldehyde) with three coupled modes and a molecule (trans-d2 ethylene) with several coupled pairs of modes. The BT transformation is used to compute "vibrational" basis functions which include some of the rotational-vibrational coupling. © 1997 Published by Elsevier Science B.V.
dc.identifier.doi10.1016/S0301-0104(97)00086-4
dc.identifier.issn3010104
dc.identifier.scopus2-s2.0-0031570567
dc.identifier.urihttps://apicris.irins.org/handle/IITM2023/57462
dc.relation.ispartofseriesChemical Physics
dc.sourceChemical Physics
dc.titleUncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms
dc.typeJournal
dspace.entity.typePublication
oaire.citation.endPage42
oaire.citation.issue1
oaire.citation.startPage31
oaire.citation.volume219
oairecerif.author.affiliationIndian Institute of Technology, Madras
oairecerif.author.affiliation#PLACEHOLDER_PARENT_METADATA_VALUE#
person.affiliation.cityChennai
person.affiliation.cityMontreal
person.affiliation.id60025757
person.affiliation.id60009507
person.affiliation.nameIndian Institute of Technology Madras
person.affiliation.nameUniversity of Montreal
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