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    Cusp relation for the Pauli potential (2014)
    American Physical Society (APS)
    Details
    Publication Date: 2014-12-23
    Description: Author(s): H. Levämäki, Á. Nagy, K. Kokko, and L. Vitos In orbital-free density functional theory, only a Schrödinger-like equation has to be solved for the square root of the electron density. In this equation, however, there is an extra potential in addition to the Kohn-Sham potential, the so-called Pauli potential. Cusp relations are now presented for... [Phys. Rev. A 90, 062515] Published Mon Dec 22, 2014
    Keywords: Atomic and molecular structure and dynamics
    Print ISSN: 1050-2947
    Electronic ISSN: 1094-1622
    Topics: Physics
    Published by American Physical Society (APS)
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  • 2
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    Excited-state pair-density-functional theory (2014)
    American Physical Society (APS)
    Details
    Publication Date: 2014-08-12
    Description: Author(s): Á. Nagy The theory of pair density is extended to excited states. The theory of a single excited state is generalized for the pair density. A two-particle equation is derived for the square root of the pair density of the given excited state. An expression for the effective potential of this equation is pre... [Phys. Rev. A 90, 022505] Published Mon Aug 11, 2014
    Keywords: Atomic and molecular structure and dynamics
    Print ISSN: 1050-2947
    Electronic ISSN: 1094-1622
    Topics: Physics
    Published by American Physical Society (APS)
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    PAPER CURRENT
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