Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007034508> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W2007034508 abstract "The problem of two Coulombically interacting electrons confined in a cylindrical potential box with impenetrable walls is solved by the method of full configuration interaction (CI) for states with zero axial component of the total orbital angular momentum, including the ground state ${}^{1}{ensuremath{Sigma}}_{g}^{+}$. The number of variables in the Schrodinger equation is reduced from six to five by separating the ${mathrm{Lifmmode hat{}else ^{}fi{}}}_{z}$ operator from the complete Hamiltonian. Two-electron basis sets of symmetry-adapted configuration state functions are constructed from real eigenfunctions of the one-electron Hamiltonian for a cylindrical potential box. Kinetic energy integrals are evaluated analytically. Electron repulsion integrals are computed by developing a separable expression for the $1/{r}_{12}$ operator in the form of a double Fourier-Bessel-Fourier-cosine series and using enough terms to achieve a relative accuracy of ${10}^{ensuremath{-}10}$ for the eigenvalues. Energy-level ordering and electron densities of selected electronic states are reported for cylindrical cavities of varying size with a fixed 1:1 length-to-diameter ratio. A remarkable feature of this system is that convergence of the full CI energy with respect to the one-electron basis set varies dramatically with the extent of confinement: For small cavities, the rate of approaching the basis-set limit is similar to that for two-electron atoms but is significantly faster for large cavities. Formation of singlet and triplet Wigner molecules is observed in cylindrical cavities with radii greater than about 5 bohrs." @default.
- W2007034508 created "2016-06-24" @default.
- W2007034508 creator A5058051403 @default.
- W2007034508 creator A5064925546 @default.
- W2007034508 date "2010-03-10" @default.
- W2007034508 modified "2023-09-23" @default.
- W2007034508 title "Two electrons in a cylindrical box: An exact configuration-interaction solution" @default.
- W2007034508 cites W1600135520 @default.
- W2007034508 cites W1964436499 @default.
- W2007034508 cites W1972497948 @default.
- W2007034508 cites W1981264261 @default.
- W2007034508 cites W1991773669 @default.
- W2007034508 cites W1995953214 @default.
- W2007034508 cites W1998674391 @default.
- W2007034508 cites W1999510511 @default.
- W2007034508 cites W2015419524 @default.
- W2007034508 cites W2032937309 @default.
- W2007034508 cites W2039460342 @default.
- W2007034508 cites W2042539957 @default.
- W2007034508 cites W2044784586 @default.
- W2007034508 cites W2049551726 @default.
- W2007034508 cites W2082457921 @default.
- W2007034508 cites W2088399473 @default.
- W2007034508 cites W2095109330 @default.
- W2007034508 cites W2114208432 @default.
- W2007034508 cites W2116875086 @default.
- W2007034508 cites W2158971189 @default.
- W2007034508 cites W2318653345 @default.
- W2007034508 cites W4229868531 @default.
- W2007034508 doi "https://doi.org/10.1103/physreva.81.032509" @default.
- W2007034508 hasPublicationYear "2010" @default.
- W2007034508 type Work @default.
- W2007034508 sameAs 2007034508 @default.
- W2007034508 citedByCount "15" @default.
- W2007034508 countsByYear W20070345082013 @default.
- W2007034508 countsByYear W20070345082014 @default.
- W2007034508 countsByYear W20070345082016 @default.
- W2007034508 countsByYear W20070345082017 @default.
- W2007034508 countsByYear W20070345082018 @default.
- W2007034508 crossrefType "journal-article" @default.
- W2007034508 hasAuthorship W2007034508A5058051403 @default.
- W2007034508 hasAuthorship W2007034508A5064925546 @default.
- W2007034508 hasConcept C107706756 @default.
- W2007034508 hasConcept C121332964 @default.
- W2007034508 hasConcept C126255220 @default.
- W2007034508 hasConcept C128803854 @default.
- W2007034508 hasConcept C130787639 @default.
- W2007034508 hasConcept C147120987 @default.
- W2007034508 hasConcept C158693339 @default.
- W2007034508 hasConcept C184779094 @default.
- W2007034508 hasConcept C32909587 @default.
- W2007034508 hasConcept C33923547 @default.
- W2007034508 hasConcept C62520636 @default.
- W2007034508 hasConcept C65956243 @default.
- W2007034508 hasConcept C69523127 @default.
- W2007034508 hasConceptScore W2007034508C107706756 @default.
- W2007034508 hasConceptScore W2007034508C121332964 @default.
- W2007034508 hasConceptScore W2007034508C126255220 @default.
- W2007034508 hasConceptScore W2007034508C128803854 @default.
- W2007034508 hasConceptScore W2007034508C130787639 @default.
- W2007034508 hasConceptScore W2007034508C147120987 @default.
- W2007034508 hasConceptScore W2007034508C158693339 @default.
- W2007034508 hasConceptScore W2007034508C184779094 @default.
- W2007034508 hasConceptScore W2007034508C32909587 @default.
- W2007034508 hasConceptScore W2007034508C33923547 @default.
- W2007034508 hasConceptScore W2007034508C62520636 @default.
- W2007034508 hasConceptScore W2007034508C65956243 @default.
- W2007034508 hasConceptScore W2007034508C69523127 @default.
- W2007034508 hasIssue "3" @default.
- W2007034508 hasLocation W20070345081 @default.
- W2007034508 hasOpenAccess W2007034508 @default.
- W2007034508 hasPrimaryLocation W20070345081 @default.
- W2007034508 hasRelatedWork W1977669113 @default.
- W2007034508 hasRelatedWork W1988887767 @default.
- W2007034508 hasRelatedWork W1991217402 @default.
- W2007034508 hasRelatedWork W2026384436 @default.
- W2007034508 hasRelatedWork W2049391448 @default.
- W2007034508 hasRelatedWork W2079289098 @default.
- W2007034508 hasRelatedWork W2094661302 @default.
- W2007034508 hasRelatedWork W2383846213 @default.
- W2007034508 hasRelatedWork W2584071229 @default.
- W2007034508 hasRelatedWork W3105457562 @default.
- W2007034508 hasVolume "81" @default.
- W2007034508 isParatext "false" @default.
- W2007034508 isRetracted "false" @default.
- W2007034508 magId "2007034508" @default.
- W2007034508 workType "article" @default.