File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Ground-state reduced density matrices, effective Hamiltonians, and optical properties of Schiff bases of retinal

TitleGround-state reduced density matrices, effective Hamiltonians, and optical properties of Schiff bases of retinal
Authors
Issue Date1999
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/chemphys
Citation
Chemical Physics, 1999, v. 247 n. 2, p. 185-192 How to Cite?
AbstractThe optical properties of Schiff bases of retinal are determined from their ab initio Hartree-Fock ground-state reduced single-electron density matrices. This is achieved by extracting the effective Hamiltonian of the π electrons in the systems from their ground-state reduced density matrices. The linear and non-linear optical properties of these molecules are thus calculated by employing the time-dependent Hartree-Fock (TDHF) method. Structure dependence of the optical properties is examined by comparing the values of linear and non-linear polarizabilities of all-trans and various cis isomers. The effect of protonation is studied as well.
Persistent Identifierhttp://hdl.handle.net/10722/69124
ISSN
2015 Impact Factor: 1.758
2015 SCImago Journal Rankings: 0.719
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorSu, Zen_HK
dc.contributor.authorLiang, Wen_HK
dc.contributor.authorChen, Gen_HK
dc.date.accessioned2010-09-06T06:10:47Z-
dc.date.available2010-09-06T06:10:47Z-
dc.date.issued1999en_HK
dc.identifier.citationChemical Physics, 1999, v. 247 n. 2, p. 185-192en_HK
dc.identifier.issn0301-0104en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69124-
dc.description.abstractThe optical properties of Schiff bases of retinal are determined from their ab initio Hartree-Fock ground-state reduced single-electron density matrices. This is achieved by extracting the effective Hamiltonian of the π electrons in the systems from their ground-state reduced density matrices. The linear and non-linear optical properties of these molecules are thus calculated by employing the time-dependent Hartree-Fock (TDHF) method. Structure dependence of the optical properties is examined by comparing the values of linear and non-linear polarizabilities of all-trans and various cis isomers. The effect of protonation is studied as well.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/chemphysen_HK
dc.relation.ispartofChemical Physicsen_HK
dc.rightsChemical Physics. Copyright © Elsevier BV.en_HK
dc.titleGround-state reduced density matrices, effective Hamiltonians, and optical properties of Schiff bases of retinalen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0301-0104&volume=247&spage=185&epage=192&date=1999&atitle=Ground-state+reduced+density+matrices,+effective+Hamiltonians,+and+optical+properties+of+Schiff+bases+of+retinalen_HK
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0301-0104(99)00194-9-
dc.identifier.scopuseid_2-s2.0-0033469861en_HK
dc.identifier.hkuros50081en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0033469861&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume247en_HK
dc.identifier.issue2en_HK
dc.identifier.spage185en_HK
dc.identifier.epage192en_HK
dc.identifier.isiWOS:000082216900001-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridSu, Z=7402248791en_HK
dc.identifier.scopusauthoridLiang, W=7402026799en_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats