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2000 (1)
1997 (1)
1Author    M. G. MarmorinoRequires cookie*
 Title    Remarks on Local Energy and Perturbations  
 Abstract    The local energy is first reviewed and compared with the expected energy. We then present the per-turbative local energy method which uses an exactly soluble base problem and a perturbing potential to greatly simplify the expression of the local energy. This is demonstrated with two-electron atoms for which the method gives upper bounds with errors from 18% for He to 4% for Ne x+ . Finally a call to develop a local energy method for large systems is issued. 
  Reference    Z. Naturforsch. 55a, 912—914 (2000); received March 3 2000 
  Published    2000 
  Keywords    Local Energy, Variation Theorem, Perturbations 
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 TEI-XML for    default:Reihe_A/55/ZNA-2000-55a-0912.pdf 
 Identifier    ZNA-2000-55a-0912 
 Volume    55 
2Author    C. Mecke, F. F. SeeligRequires cookie*
 Abstract    Using an old formulation for correlation functions with correct cusp-behaviour, the Schrödinger equation transforms to a new differential equation which provides a very simple expression for the local electronic energy with limited range. This, together with the simplicity of the formulation promises a high performance in Green's function Monte Carlo (GFMC) simulations of small electronic systems. The behaviour of the local energy is studied on a few simple examples because the variance of this function determines the quality of the results in the GFMC methods. Calculations for one-and two-electron systems are presented and compared with results from well-known functions. The form of the function is then extended to systems with more than two electrons. Results for the Be atom are given and the extension to larger electronic systems is discussed. 
  Reference    Z. Naturforsch. 52a, 793—802 (1997); received October 11 1997 
  Published    1997 
  Keywords    Correlation Functions, Green's Function Monte Carlo, Local Energy, Wave Functions with Correct Cusp-behaviour, Jastrow Factors 
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 TEI-XML for    default:Reihe_A/52/ZNA-1997-52a-0793.pdf 
 Identifier    ZNA-1997-52a-0793 
 Volume    52