Strong Electron Correlation in a Localized State Described in Terms of Extended States : General Formulation and Illustration in a Helium Atom

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概要

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• A forunulation is proposed to treat the grotrnd-state properties of an assetnbly of electrons,interacting nautually throtrgla the Cotrlonab potential and confined by an external potential Vwhose naaxitaauna is finite so that both bottnd and extended continutrrn states appear as eigenstates f'or the one-body Han?i1tonian conaposed of the electron kinetic energy and V. Theseextended states are fotrnd to play a crtrcial role in incorporating the effect of' electron correl?ttioninto the localized ground-state naany-electron wave ftnnction. As an illustration of otrr fortnalisraa,the grotnnd-state energy of' a He atotaa is calctzlated in its sinaplest version and conapared ratherstrccessftnlly with experinaent as well as the restrlts in other serious ntrtnerical naethods, We alsocalctrlate the density and pair distribvrtion f'trnctions in the sar'rne version. Special attention ispaid to the latter f'trnction in this systetaa in order to elucidate 2'L qttalitative dif['erence f'rouaa that inthe homogeneotrs electron gas. This f'trnction shows clearly that the two electrons with oppositespins in He correlate strongly over qtnite a long range in contrast to the common expectation thatthe grottnd-state wave function for the He atotaa can be described acctrrately in the Hartree-Fockapproxiraaation.

• 社団法人日本物理学会の論文
• 1998-08-15

著者

• TAKADA Yasutami

  Institute for Solid State Physics, University of Tokyo

• YAMAGAMI Hiroshi

  Department of Physics, Faculty of Science, Kyoto Sangyo University

• Yamagami Hiroshi

  Department Of Neurology Stroke Center Kobe City Medical Center General Hospital

• Yamagami Hiroshi

  Department Of Physics Graduate School Of Science Tohoku University

• Takada Yasutami

  Institute For Solid Physics University Of Tokyo

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