Puchin, V.E.; Zapol, B.P.
International Centre for Theoretical Physics, Trieste (Italy)1990
International Centre for Theoretical Physics, Trieste (Italy)1990
AbstractAbstract
[en] The authors try to solve the following problems: provided that variation freedom is not restricted and intragroup correlation is taken into account in a given approximation, is it possible to develop for group functions any analogue of the well known (in the case of orbitals) Adams-Gilbert-Kunz method that could give one a possibility to go from delocalized group functions to localized ones seeking for minimization of the intergroup correlation? 20 refs, 1 tab
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Nov 1990; 15 p
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AbstractAbstract
[en] The ensemble N-representability problem for the k-th order reduced density matrix (k-RDM) as well as the problem of reconstruction of the N-particle system density matrices (N-DM) from a given k-RDM are studied. The spatial parts of the k-RDM expansion in terms of spin tensorial operators Θλ are represented using particular values (at specially chosen Ξ = Ξo) of the Radon transform DNλ DNλ(Ξ) of the N-DM spatial parts (or their sums) DNλ(χ'|χ double-prime) (here, Ξ is a d-plane in the n-space Re double-prime of χ = (χ', χ double-prime), with n = 6N, d = 3(N - k), χ' double-bond ' (r'1,...,rN'), χ double-prime double-prime triple-bond (r1 double-prime,...,rN double-prime)). In this way, the problem is reduced to investigation of the properties of the functions DNλ(Ξ). For a normalizable N - DM, it is proved that DNλ(Ξ) are bounded functions. The properties of DNλ(Ξ) implied by the N-DM permutational symmetry, Hermiticity, and positive definiteness are found. A formal procedure of reconstruction of all N-DM corresponding to a given k-RDM is proposed. 38 refs
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