Abstract:
Exact wave function of the N-fermion system is divided into the parts corresponding
to s-particle fermion clusters formed by one-particle states of the self-consistent wave
function. Transition density operators involving all virtual transitions between the particle
and hole clusters are defined. Using these transition operators, the exact two-particle
density matrix is found and the equation of motion describing correlation interaction
of the clusters is suggested. It is shown that the expression for the energy
dispersion derived with the aid of these equations makes it possible to obtain the estimate
for particle correlation of the excited state in the Tamm–Dankoff approximation.
Citation:
A. V. Luzanov, “Many-particle correlations of fermion clusters in the method of transition density operators”, TMF, 30:3 (1977), 361–369; Theoret. and Math. Phys., 30:3 (1977), 232–237
\Bibitem{Luz77}
\by A.~V.~Luzanov
\paper Many-particle correlations of fermion clusters in the method of transition density operators
\jour TMF
\yr 1977
\vol 30
\issue 3
\pages 361--369
\mathnet{http://mi.mathnet.ru/tmf2808}
\transl
\jour Theoret. and Math. Phys.
\yr 1977
\vol 30
\issue 3
\pages 232--237
\crossref{https://doi.org/10.1007/BF01036716}
Linking options:
https://www.mathnet.ru/eng/tmf2808
https://www.mathnet.ru/eng/tmf/v30/i3/p361
This publication is cited in the following 11 articles:
Anatoliy V. Luzanov, Practical Aspects of Computational Chemistry IV, 2016, 151
Luzanov A.V., “Rasscheplenie v nulevom pole tripletnykh urovnei sopryazhennykh molekul. sravnenie tochnoi i priblizhennykh p-skhem”, Zhurnal strukturnoi khimii, 53:1 (2013), 7–16
Zero field splitting of triplet levels of conjugated molecules: a comparison of exact and approximate p-schemes
A. V. Luzanov, O. V. Prezhdo, “The spin-polarized extended Brueckner orbitals”, The Journal of Chemical Physics, 135:9 (2011)
A. V. Luzanov, “Spin‐free quantum chemistry: What one can gain from fock's cyclic symmetry”, Int J of Quantum Chemistry, 111:15 (2011), 4042
Anatoliy V. Luzanov, “Matrix‐covariant representation of high‐order configuration interaction and coupled cluster theories”, Int J of Quantum Chemistry, 108:4 (2008), 671
A. V. Luzanov, O. V. Prezhdo, “Analysis of multiconfigurational wave functions in terms of hole-particle distributions”, The Journal of Chemical Physics, 124:22 (2006)
A. V. Luzanov, O. V. Prezhdo, “Hole-particle characterization of coupled-cluster singles and doubles and related models”, The Journal of Chemical Physics, 125:15 (2006)
A. V. Luzanov, “Spin Flip Models in the Spin Coupling Method of Many-Particle Amplitudes”, J Struct Chem, 45:5 (2004), 729
G. T. Klimko, M. M. Mestechkin, “Roothaan's open shell theory from the viewpoint of an orthogonal group”, Int J of Quantum Chemistry, 37:6 (1990), 753
A. V. Luzanov, “One-particle approximation in valence-scheme superposition”, Theor Exp Chem, 17:3 (1982), 227
A. V. Luzanov, M. M. Mestechkin, “On the population numbers of pair states in a system of excitons”, Theoret. and Math. Phys., 48:2 (1981), 740–744
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