Matches in SemOpenAlex for { <https://semopenalex.org/work/W2028002045> ?p ?o ?g. }
Showing items 1 to 90 of
90
with 100 items per page.
- W2028002045 endingPage "134" @default.
- W2028002045 startingPage "125" @default.
- W2028002045 abstract "Abstract The vibronic Hamiltonians describing linear and quadratic Jahn–Teller coupling as well as spin–orbit coupling in ME states of trigonal systems are derived for the spin multiplicities M = 3 , 4 , 5 , starting from the microscopic Breit–Pauli spin–orbit operator. The 2 M × 2 M Hamiltonian matrices in a diabatic spin-electronic basis are obtained by the expansion of the Hamiltonian in powers of the Jahn–Teller active normal mode. It is shown that the ME × E Jahn–Teller Hamiltonians can be made block-diagonal by the transformation to an alternative diabatic basis which mixes electronic orbital and spin projections. The adiabatic potential-energy surfaces and the adiabatic electronic wave functions are obtained in analytical form. In systems with an odd number of electrons (and thus even spin multiplicity) the Jahn–Teller effect is quenched by strong spin–orbit coupling and the adiabatic potential-energy surfaces are strictly two-fold degenerate (Kramer’s degeneracy). In systems with an even number of electrons (and thus odd spin multiplicity), two of the 2 M adiabatic potentials exhibit an E × E Jahn–Teller effect which is unaffected by the spin–orbit interaction. The geometric phases of the adiabatic electronic wave functions are those of the 2E × E Jahn–Teller effect with and without spin–orbit coupling, respectively." @default.
- W2028002045 created "2016-06-24" @default.
- W2028002045 creator A5016274435 @default.
- W2028002045 creator A5079335187 @default.
- W2028002045 date "2008-09-01" @default.
- W2028002045 modified "2023-09-23" @default.
- W2028002045 title "The 3E×E, 4E×E and 5E×E Jahn–Teller Hamiltonians of trigonal systems" @default.
- W2028002045 cites W1571658817 @default.
- W2028002045 cites W1678600013 @default.
- W2028002045 cites W1986481838 @default.
- W2028002045 cites W1996590564 @default.
- W2028002045 cites W2013885943 @default.
- W2028002045 cites W2030380628 @default.
- W2028002045 cites W2045241702 @default.
- W2028002045 cites W2048948958 @default.
- W2028002045 cites W2063799040 @default.
- W2028002045 cites W2065741191 @default.
- W2028002045 cites W2065971692 @default.
- W2028002045 cites W2067234809 @default.
- W2028002045 cites W2080990731 @default.
- W2028002045 cites W2083841638 @default.
- W2028002045 cites W2085073182 @default.
- W2028002045 cites W2087806165 @default.
- W2028002045 cites W2094407008 @default.
- W2028002045 cites W2097780038 @default.
- W2028002045 cites W2122590536 @default.
- W2028002045 cites W2127865535 @default.
- W2028002045 cites W2143169806 @default.
- W2028002045 cites W2146406469 @default.
- W2028002045 cites W2155681917 @default.
- W2028002045 cites W2161495137 @default.
- W2028002045 cites W2197441986 @default.
- W2028002045 cites W2240809602 @default.
- W2028002045 cites W2324828974 @default.
- W2028002045 cites W3177710433 @default.
- W2028002045 cites W4233807492 @default.
- W2028002045 doi "https://doi.org/10.1016/j.chemphys.2008.05.020" @default.
- W2028002045 hasPublicationYear "2008" @default.
- W2028002045 type Work @default.
- W2028002045 sameAs 2028002045 @default.
- W2028002045 citedByCount "19" @default.
- W2028002045 countsByYear W20280020452012 @default.
- W2028002045 countsByYear W20280020452013 @default.
- W2028002045 countsByYear W20280020452014 @default.
- W2028002045 countsByYear W20280020452016 @default.
- W2028002045 countsByYear W20280020452017 @default.
- W2028002045 countsByYear W20280020452018 @default.
- W2028002045 countsByYear W20280020452021 @default.
- W2028002045 countsByYear W20280020452022 @default.
- W2028002045 countsByYear W20280020452023 @default.
- W2028002045 crossrefType "journal-article" @default.
- W2028002045 hasAuthorship W2028002045A5016274435 @default.
- W2028002045 hasAuthorship W2028002045A5079335187 @default.
- W2028002045 hasConcept C115624301 @default.
- W2028002045 hasConcept C145148216 @default.
- W2028002045 hasConcept C147597530 @default.
- W2028002045 hasConcept C178790620 @default.
- W2028002045 hasConcept C185592680 @default.
- W2028002045 hasConcept C194185919 @default.
- W2028002045 hasConcept C8010536 @default.
- W2028002045 hasConcept C83981384 @default.
- W2028002045 hasConceptScore W2028002045C115624301 @default.
- W2028002045 hasConceptScore W2028002045C145148216 @default.
- W2028002045 hasConceptScore W2028002045C147597530 @default.
- W2028002045 hasConceptScore W2028002045C178790620 @default.
- W2028002045 hasConceptScore W2028002045C185592680 @default.
- W2028002045 hasConceptScore W2028002045C194185919 @default.
- W2028002045 hasConceptScore W2028002045C8010536 @default.
- W2028002045 hasConceptScore W2028002045C83981384 @default.
- W2028002045 hasIssue "1-3" @default.
- W2028002045 hasLocation W20280020451 @default.
- W2028002045 hasOpenAccess W2028002045 @default.
- W2028002045 hasPrimaryLocation W20280020451 @default.
- W2028002045 hasRelatedWork W1985552708 @default.
- W2028002045 hasRelatedWork W1992511568 @default.
- W2028002045 hasRelatedWork W2011002524 @default.
- W2028002045 hasRelatedWork W2028002045 @default.
- W2028002045 hasRelatedWork W2084317006 @default.
- W2028002045 hasRelatedWork W2085773808 @default.
- W2028002045 hasRelatedWork W2101896959 @default.
- W2028002045 hasRelatedWork W2329722403 @default.
- W2028002045 hasRelatedWork W2964771222 @default.
- W2028002045 hasRelatedWork W4230081959 @default.
- W2028002045 hasVolume "352" @default.
- W2028002045 isParatext "false" @default.
- W2028002045 isRetracted "false" @default.
- W2028002045 magId "2028002045" @default.
- W2028002045 workType "article" @default.