Abstract
In Chap. 2 we discussed extensively the independent-electron approximation as a conceptually simple yet rather crude method for dealing with the N-electron problem. Its shortcomings were discussed in Sect. 2.8, where we showed that it is the correlation hole which every electron carries along that is missing in such an approach. The correlation hole prevents electrons from coming too close to each other and reduces their mutual Coulomb repulsion. The concept of the local correlation hole becomes crucial later if we are to understand why local operators prove particularly suitable for describing electron correlations (Chap. 5). In this chapter we will discuss the most important quantum-chemical methods used for treating electron correlations.
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Chapter 4
R.K. Nesbet: Rev. Mod. Phys. 33, 28 (1961)
O. Sinanoglu: Adv. Chem. Phys. 6, 315 (1968)
B. Roos: Chem. Phys. Lett. 15, 153 (1972); see also B. Roos, P. Siegbahn: In Modern Theoretical Chemistry, Vol. 3, ed. by H.F. Schaefer III (Plenum, New York 1977)
P.O. Löwdin: J. Phys. Chem. 61, 55 (1957)
P.S. Bagus, B. Liu, A.D. McLean, M. Yoshimine: In Energy, Structure and Reactivity, ed. by D.W. Smith, W.B. McRae (Wiley, New York 1973)
G.C. Lie, J. Hinze, B. Liu: J. Chem. Phys. 59, 1872 (1973)
J. Cizek: Adv. Chem. Phys. 14, 35 (1969)
H. Kümmel, K.H. Lührmann, J.G. Zabolitzky: Phys. Lett. C 36, 1 (1978)
W. Kutzelnigg: In Modern Theoretical Chemistry, Vol. 3, ed. by H.F. Schaefer III (Plenum, New York 1977)
R. Ahlrichs: Comput. Phys. Commun. 17, 31 (1979)
S.F. Boys: Proc. R. Soc. London A 200, 542 (1950); see also C.E. Dykstra: Ab Initio Calculation of the Structure and Properties of Molecules (Elsevier, Amsterdam 1988)
W. Lakin: J. Chem. Phys. 43, 2954 (1965)
P. Pulay: Chem. Phys. Lett. 100, 151 (1983)
R.J. Buenker, S.D. Peyerimhoff: In New Horizons of Quantum Chemistry, ed. by P.O. Löwdin, B. Pullman (Reidel, Dordrecht 1983)
P.O. Löwdin: Phys. Rev. 97, 1474 (1955); see also E. Davidson: Reduced Density Matrices in Quantum Chemistry (Wiley, New York 1963)
K. Dieterich, P. Fulde: J. Chem. Phys. 87, 2976 (1987)
F. Coester, H. Kümmel: Nucl. Phys. 17, 477 (1960)
W. Kutzelnigg: Chem. Phys. Lett. 35, 283 (1975)
W. Meyer. Int. J. Quantum Chem. 5, 341 (1971)
C. Mϕller, M.S. Plesset: Phys. Rev. 46, 618 (1934)
A.L. Fetter, J.D. Walecka: Quantum Theory of Many-Particle Systems (McGraw-Hill, New York 1971)
S. Wilson: Electron Correlation in Molecules (Clarendon, Oxford 1984)
S. Diner, J.P. Malrieu, P. Claverie: Theor. Chim. Acta 13, 1 (1969)
W. Harrison: Electronic Structure and the Properties of Solids (Freeman, San Francisco 1980)
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Fulde, P. (1993). Quantum-Chemical Approach to Electron Correlations. In: Electron Correlations in Molecules and Solids. Springer Series in Solid-State Sciences, vol 100. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-97477-9_4
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DOI: https://doi.org/10.1007/978-3-642-97477-9_4
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