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1
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84981625774
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For previous studies in atomic shell structures via various analytical functions of the electron density in position and momentum spaces, see (a) F. J. Galvez and I. Porras, Int. J. Quantum Chem. 56, 157 (1995); (b) K. D. Sen, T. V. Gayatri, and H. Toufar, J. Mol. Struct.: THEOCHEM 361, 1 (1996), and references therein.
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Int. J. Quantum Chem.
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Galvez, F.J.1
Porras, I.2
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2
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0004889117
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and references therein
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For previous studies in atomic shell structures via various analytical functions of the electron density in position and momentum spaces, see (a) F. J. Galvez and I. Porras, Int. J. Quantum Chem. 56, 157 (1995); (b) K. D. Sen, T. V. Gayatri, and H. Toufar, J. Mol. Struct.: THEOCHEM 361, 1 (1996), and references therein.
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J. Mol. Struct.: THEOCHEM
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Sen, K.D.1
Gayatri, T.V.2
Toufar, H.3
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3
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0001753126
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A. M. Simas, R. P. Sagar, A. C. T. Ku, and V. H. Smith, Can. J. Chem. 66, 1923 (1988).
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Can. J. Chem.
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Simas, A.M.1
Sagar, R.P.2
Ku, A.C.T.3
Smith, V.H.4
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7
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36549102661
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9
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85034276768
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note
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More precisely, the minima were located in the Laplacian of the spherically averaged radial distribution of ρ(r).
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11
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0002213630
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edited by R. Erdahl and V. Smith Reidel. Dordrecht
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G. Hunter, in Density Matrices and Density Functionals, edited by R. Erdahl and V. Smith (Reidel. Dordrecht, 1987), p. 583.
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Density Matrices and Density Functionals
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Hunter, G.1
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18
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85034281666
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Routledge, London, Also see Ref. 3, p. 102 for Bader's discussion of the quantum potential in the context of a one-electron system
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For an account of the theory see D. Bohm and B. J. Haley, The Univided Universe (Routledge, London, 1993). Also see Ref. 3, p. 102 for Bader's discussion of the quantum potential in the context of a one-electron system.
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(1993)
The Univided Universe
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Bohm, D.1
Haley, B.J.2
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19
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0041113314
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Bohm's quantum potential and the visualization of molecular structure
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edited by S. Jeffers and G. Hunter (Kluwer Academic, Dordrecht, in press)
-
In an independent development, the use of the one-electron potential for the graphical analysis of electron density was derived from Bader's AIM theory and Bohm's quantum potential by Creon Levit of the NASA AMES research center, M. C. Levit, "Bohm's quantum potential and the visualization of molecular structure," in Causality and Locality in Modern Physics and Astronomy: Open Questions and Possible Solutions, edited by S. Jeffers and G. Hunter (Kluwer Academic, Dordrecht, in press).
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Causality and Locality in Modern Physics and Astronomy: Open Questions and Possible Solutions
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Levit, M.C.1
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20
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0000362770
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R. P. Sagar, A. C. T. Ku, V. H. Smith, and A. M. Simas, Can. J. Chem. Eng. 66, 1005 (1988).
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Gaussian, Inc., Pittsburg PA
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Gaussian 94, Revision D3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordan, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburg PA, 1995.
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordan, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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1842665312
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84873055189
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Wiley, New York
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W. J. Hehre, L. Radom. P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
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Ab Initio Molecular Orbital Theory
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Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
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35
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85034303296
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Available from Professor R. Bader at McMaster university
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Available from Professor R. Bader at McMaster university.
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38
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85034306907
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note
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2.
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-
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40
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0000413763
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The term LOCC is adapted from LOCCC(ligand-opposed core charge concentration) due to Gillespie, Bader, and co-workers; I. Bytheway, R. J. Gillespie, T.-H. Tang, and R. F. W. Bader, Inorg. Chem. 34, 2407 (1995).
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Inorg. Chem.
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Bytheway, I.1
Gillespie, R.J.2
Tang, T.-H.3
Bader, R.F.W.4
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