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1993 (2)
1Author    Hartmut Schmider, VedeneH. Smith, Wolf WeyrichRequires cookie*
 Title    On the Inference of the One-Particle Density Matrix from Position and Momentum-Space Form Factors  
 Abstract    A modification of a recently developed method for the least-squares reconstruction of a one-par-ticle reduced density matrix from experimentally accessible expectation values is applied to the test systems of atomic beryllium and neon. The improvement of the resulting matrices through inclusion of electron correlation is demonstrated. Their quality is judged by comparison of the moments of the position and momentum densities and of the spherically averaged density matrix in a suitable representation. 
  Reference    Z. Naturforsch. 48a, 211—220 (1993); received June 3 1992 
  Published    1993 
  Keywords    Density matrix, Reconstruction, Least-squares fit, Beryllium, Neon 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-0211.pdf 
 Identifier    ZNA-1993-48a-0211 
 Volume    48 
2Author    VedeneH. Schmider, Smith, Wolf WeyrichRequires cookie*
 Title    Hartmut  
 Abstract    A recently developed method for the least-squares reconstruction of one-particle reduced density matrices from one-particle expectation values has been applied to isotropic Compton profiles of neon from the literature. The resulting densities in momentum and position space are compared with the ones obtained from ab-initio calculations. 
  Reference    Z. Naturforsch. 48a, 221—226 (1993); received June 3 1992 
  Published    1993 
  Keywords    Density matrix, Compton profile, Least-squares fit, Atomic orbitals, Reconstruction 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-0221.pdf 
 Identifier    ZNA-1993-48a-0221 
 Volume    48