A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants (English)
- New search for: Francisco, E.
- New search for: Martín Pendás, A.
- New search for: García-Revilla, M.
- New search for: Álvarez Boto, R.
- New search for: Francisco, E.
- New search for: Martín Pendás, A.
- New search for: García-Revilla, M.
- New search for: Álvarez Boto, R.
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ISSN:
- Article (Journal) / Electronic Resource
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Title:A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants
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Contributors:Francisco, E. ( author ) / Martín Pendás, A. ( author ) / García-Revilla, M. ( author ) / Álvarez Boto, R. ( author )
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2012-09-14
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Size:8 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 1003
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Forward for Special IssueAyers, Paul / Thakkar, Ajit et al. | 2012
- 2
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On the trail of the 2-body reduced density matrixPercus, J.K. et al. | 2012
- 8
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Albert John Coleman – Teacher, researcher, and father of modern reduced density matrix theoryErdahl, Robert et al. | 2012
- 12
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Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: Exploiting translational invariance and parityVerstichel, Brecht / van Aggelen, Helen / Poelmans, Ward / Wouters, Sebastian / Van Neck, Dimitri et al. | 2012
- 22
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The second-order reduced density matrix method and the two-dimensional Hubbard modelAnderson, James S.M. / Nakata, Maho / Igarashi, Ryo / Fujisawa, Katsuki / Yamashita, Makoto et al. | 2012
- 28
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Linear inequalities for density matrices: IV FactorizationsDavidson, Ernest R. et al. | 2012
- 32
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The sharp-G N-representability conditionJohnson, Paul A. / Ayers, Paul W. / Verstichel, Brecht / Van Neck, Dimitri / Aggelen, Helen van et al. | 2012
- 37
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Order indices of density matrices for finite systemsYukalov, V.I. / Yukalova, E.P. et al. | 2012
- 44
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Parametric two-electron reduced-density-matrix method with application to diradical rectangular H4Sand, Andrew M. / Mazziotti, David A. et al. | 2012
- 50
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Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matricesvan Aggelen, Helen / Verstichel, Brecht / Acke, Guillaume / Degroote, Matthias / Bultinck, Patrick / Ayers, Paul W. / Van Neck, Dimitri et al. | 2012
- 55
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A new approach to construct the three-body correlation matrices for correlated excited statesAlcoba, D.R. / Valdemoro, C. / Tel, L.M. et al. | 2012
- 62
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Generalized antisymmetric ordered products, generalized normal ordered products, ordered and ordinary cumulants and their use in many electron correlation problemSinha, Debalina / Maitra, Rahul / Mukherjee, Debashis et al. | 2012
- 71
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A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulantsFrancisco, E. / Martín Pendás, A. / García-Revilla, M. / Álvarez Boto, R. et al. | 2012
- 79
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The localized pair model of electronic structure analysisZielinski, Zosia A.M. / Pearson, Jason K. et al. | 2012
- 91
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Pair density functional theoryHiguchi, Masahiko / Higuchi, Katsuhiko et al. | 2012
- 97
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Relationship between the effective potentials determining the density and the pair densityNagy, Á. et al. | 2012
- 101
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A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminalsJohnson, Paul A. / Ayers, Paul W. / Limacher, Peter A. / Baerdemacker, Stijn De / Neck, Dimitri Van / Bultinck, Patrick et al. | 2012
- 114
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Minimization procedure in reduced density matrix functional theory by means of an effective noninteracting systemBaldsiefen, Tim / Gross, E.K.U. et al. | 2012
- 123
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Bounds on the PNOF5 natural geminal occupation numbersPiris, M. et al. | 2012
- 127
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The equivalence of the Piris Natural Orbital Functional 5 (PNOF5) and the antisymmetrized product of strongly orthogonal geminal theoryPernal, Katarzyna et al. | 2012
- 130
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On the inherited “purity” of certain extrapolated density matricesMezey, Paul G. et al. | 2012
- IFC
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Editorial Board| 2012