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N-representability ...
N-representability of two-electron densities and density matrices and the application to the few-body problem
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- Pistol, Mats-Erik (författare)
- Lund University,Lunds universitet,Fasta tillståndets fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Solid State Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
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(creator_code:org_t)
- Elsevier BV, 2004
- 2004
- Engelska.
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614. ; 400:4-6, s. 548-552
- Relaterad länk:
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http://dx.doi.org/10...
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http://arxiv.org/pdf...
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Abstract
Ämnesord
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- We have found a (dense) basis for the N-representable, two-electron densities, in which all N-representable two-electron densities can be expanded, using positive coefficients. The inverse problem of finding a representative wavefunction, giving a prescribed two-electron density, has also been solved. The two-electron densities are found to lie in a convex set in a vector space. An algorithm to compute the ground-state energy of a few-particle system is proposed, based on the obtained results. (C) 2004 Elsevier B.V. All rights reserved.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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