Zobrazeno 1 - 10
of 32
pro vyhledávání: '"William L. Luken"'
Publikováno v:
International Journal of Quantum Chemistry. 24:401-405
The unrestricted Hartree–Fock (UHF) self-consistent-field (SCF) procedure is shown to be a special case of the saddle-point variational method for atoms and molecules containing inner-shell vacancies.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a6e350f93d6b6fed3fb8ddd7325f461
https://doi.org/10.1002/qua.560240844
https://doi.org/10.1002/qua.560240844
Autor:
William L. Luken, John C. Culberson
Publikováno v:
International Journal of Quantum Chemistry. 22:265-276
The dependence of a Fermi orbital on the position of the probe electron is examined and compared with the corresponding behavior in a uniform-density free-electron gas. The shape of the resulting function is demonstrated with contour maps for the wat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5cec0dc87e96d5f1db17a387d45a8e34
https://doi.org/10.1002/qua.560220828
https://doi.org/10.1002/qua.560220828
Autor:
William L. Luken
Publikováno v:
Computer Aided Geometric Design. 13:163-177
The process of rendering a trimmed NURB surface may be divided into four basic steps: (a) tessellating the trimming contours, (b) tessellating the supporting surface, (c) mapping the trimming contours onto the supporting surface, and (d) rendering th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac534bc1884fb437273ee625c5ae3ccd
https://doi.org/10.1016/0167-8396(95)00019-4
https://doi.org/10.1016/0167-8396(95)00019-4
Autor:
Oktay Sinanoğlu, William L. Luken
Publikováno v:
Physical Review A. 13:1293-1306
The non-closed-shell many-electron theory (NCMET) of Sinano\ifmmode \breve{g}\else \u{g}\fi{}lu is applied to excited states which are not the lowest of their symmetry. Variational collapse towards lower states of the same symmetry is prevented by us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5575ef23e7e403bd6f3097fb5a26b7f
https://doi.org/10.1103/physreva.13.1293
https://doi.org/10.1103/physreva.13.1293
Autor:
Oktay Sinanoğlu, William L. Luken
Publikováno v:
The Journal of Chemical Physics. 64:4197-4204
Wavelengths and oscillator strengths of in‐shell transitions in highly ionized heavy atoms are treated including both relativistic and correlation effects. The 2s22p→2s2p2 transitions reported in the boron isoelectronic sequence for atomic number
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c15ea541278e4375ebdab152b4e74e69
https://doi.org/10.1063/1.431990
https://doi.org/10.1063/1.431990
Autor:
William L. Luken
Publikováno v:
Chemical Physics Letters. 61:162-166
Interactions of Rydberg electronic configurations with excited intravalency configurations have a large influence on atomic spectra as well as molecular electronic spectra. The 1134 A resonance transition of the nitrogen atom is used to illustrate th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2153cd0076a0a07370f2be92118e78dd
https://doi.org/10.1016/0009-2614(79)85109-x
https://doi.org/10.1016/0009-2614(79)85109-x
Autor:
Joseph M. Leonard, William L. Luken
Publikováno v:
Physical Review A. 28:532-537
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::000cb3de91640e85a37a3d4aefb47ee8
https://doi.org/10.1103/physreva.28.532
https://doi.org/10.1103/physreva.28.532
Publikováno v:
Chemical Physics. 92:247-253
Interaction-optimized semi-internal orbitals are determined by explicit expressions which depend only on the orbitals involved in the excitation. Any additional semi-internal excitations of the same type cannot interact with the reference function. N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4a40310a9fc35cad36c7def63c7eaa3
https://doi.org/10.1016/0301-0104(85)85020-5
https://doi.org/10.1016/0301-0104(85)85020-5
Publikováno v:
Chemical Physics. 92:235-246
Virtual orbitals for correlated electronic wavefunctions may be determined by maximizing the interaction between a reference function and each virtual configuration. The interaction-optimized virtual orbitals for external double excitations are deter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08385be1503e0ceb82340cfaf767506f
https://doi.org/10.1016/0301-0104(85)85019-9
https://doi.org/10.1016/0301-0104(85)85019-9
Autor:
William L. Luken
Publikováno v:
The Journal of Chemical Physics. 78:5729-5732
The relationship between the theory of separated pairs and localized molecular orbitals is examined by approximating the energy of a separated pair wave function as the sum of two terms. The first term determines a linear vector space similar to that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa2a57200e7afa2a62d62ba3423d0bb2
https://doi.org/10.1063/1.445453
https://doi.org/10.1063/1.445453