Abstract
In the previous chapter we saw that Hartree-Fock theory provides a remarkably good description of molecular systems, especially when the conceptual simplicity of the model is considered. Many properties are accurately predicted, and total energies can be obtained that are accurate to within > 99% of the experimental value. However, we have also seen that the 1% error (i.e., the “correlation energy error”) results in incorrect conclusions in a number of important cases such as dissociation energies, electronic spectra, and potential surfaces.
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References
H. F. Schaefer III, ed., Plenum Press, New York, 1977, pp. 189–276.
P. O. Löwdin, Adv. Chem. Phys., 2, 207 (1959).
L. Brillouin, Actualites sci. et ind., No. 71 (1933).
L. Brillouin, Actualites sci. et ind., No. 159 (1934).
C. Moeller and M. S. Plesset, Phys. Rev., 46, 618 (1934).
P. O. Löwdin, Phys. Rev., 97, 1474 (1955).
A. J. Coleman and R. M. Erdahl (eds.), Queen’s Papers on Pure and Applied Mathematics, No. 11, Queens University, Kingston, Ontario, 1968.
E. R. Davidson, Reduced Density Matrices in Quantum Chemistry, Academic Press, New York 1976.
P. O. Löwdin, Phys. Rev., 97, 1474, 1509 (1955).
P. O. Löwdn and H. Shull, Phys. Rev., 101, 1730 (1956).
B. C. Carlson and J. M. Keller, Phys. Rev., 121, 659 (1961).
E. R. Davidson, J. Chem. Phys., 37, 577 (1962).
E. R. Davidson, Adv. Chem. Phys., 6, 235–266 (1972).
E. R. Davidson, Rev. Mod. Phys., 44, 451 (1972).
E. R. Davidson, Reduced Density Matrices in Quantum Chemistry, Academic Press, New York, 1966.
E. R. Davidson, W. A. Bingel and W. Kutzelnigg, Adv. Quantum Chem., 5, 201 (1970).
H. Shull and P. O. Löwdin, J. Chem. Phys., 23, 1565 (1955).
H. Shull and P. O. Löwdin, J. Chem. Phys., 30, 617 (1959).
H. Shull, J. Chem. Phys., 30, 1405 (1959).
E. R. Davidson, Adv. Quantum Chem., 6, 235–266 (1972).
E. R. Davidson, J. Chem. Phys., 39, 875 (1963).
R. Ahlrichs, W. Kutzelnigg, and W. A. Bingel, Theoret. Chim. Acta, 5, 289 (1966).
H. Shull and P. O. Löwdin, J. Chem. Phys., 30, 617 (1959).
K. E. Banyard and C. C. Baker, J. Chem. Phys., 51, 2680 (1969).
For H2, see for example, S. Hagstrom and H. Shull, Rev. Mod. Phys., 35, 624 (1963).
E. R. Davidson and L. C. Jones, J. Chem. Phys., 37, 2966 (1962).
S. Rothenberg and E. R. Davidson, J. Chem. Phys., 45, 2560 (1966).
B. G. Anex and H. Shull, in Molecular Orbitals in Chemistry, Physics, and Biology, P. O. Löwdin and B. Pullman (eds.), Academic Press, New York, 1964, p. 227.
R. E. Christoffersen and H. Shull, J. Chem. Phys., 48, 1790 (1968).
W. Kutzelnigg, R. Ahlrichs, I. Labib-Iskander, and W. A. Bingel, Chem. Phys. Lett., 1, 447 (1967).
I. Shavitt, B. J. Rosenberg, and S. Palalikit, Int. J. Quantum Chem., S10, 33 (1976).
H. Shull, J. Chem. Phys., 30, 1405–1413 (1959).
S. Hagstrom and H. Shull, Rev. Mod. Phys., 35, 624 (1963).
H. Shull, J. Am. Chem. Soc., 82, 1287–1295 (1960).
H. Shull, J. Phys. Chem., 66, 2320 (1962).
S. Hagstrom and H. Shull, Rev. Mod. Phys., 35, 624 (1963).
H. Shull and F. Prosser, J. Chem. Phys., 40, 233 (1964).
H. Shull, J. Am. Chem. Soc., 86, 1469 (1964).
B. Anex and H. Shull, in Molecular Orbitals in Chemistry, Physics and Biology, P. O. Löwdin and B. Pullman (eds.), Academic Press, New York, 1964, p. 227.
R. E. Christoffersen and H. Shull, J. Chem. Phys. 48, 1790–1797 (1968).
Y. Sigiura, Z. Phys., 45, 484 (1927).
S. C. Wang, Phys. Rev., 31, 579 (1928).
S. Weinbaum, J. Chem. Phys., 1, 593 (1933).
N. Rosen, Phys. Rev., 38, 2099 (1931).
H. Shull and D. D. Ebbing, J. Chem. Phys., 28, 866 (1958).
C. R. Mueller and H. Eyring, J. Chem. Phys., 19, 1495 (1951).
J. O. Hirschfelder and J. W. Linnett, J. Chem. Phys., 18, 130 (1950).
S. Hagstrom and H. Shull, J. Chem. Phys., 30, 1314 (1959).
L. Pauling, Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 1939.
C. F. Bender and E. R. Davidson, J. Chem. Phys., 47, 4792 (1967).
C. F. Bender and E. R. Davidson, J. Phys. Chem., 70, 2675 (1966).
C. F. Bender and E. R. Davidson, Phys. Rev., 183, 23 (1969).
H. F. Schaefer III, J. Chem. Phys., 54, 2207 (1971).
P. J. Hay, J. Chem. Phys., 59, 2468 (1973).
A. K. Siu and E. F. Hayes, J. Chem. Phys., 61, 37 (1974).
C. Edmiston and M. Krauss, J. Chem. Phys., 45, 1833 (1966).
W. Meyer, J. Chem. Phys., 58, 1017 (1973).
S. A. Houlden and I. G. Csizmadia, Theoret. Chim. Acta, 30, 209 (1973).
H. F. Schaefer III (ed.), Plenum Press, New York, 1977, pp. 189275.
J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem., 10, 1 (1976).
E. R. Davidson, The World of Quantum Chemistry, R. Daudel and B. Pullman (eds.), D. Reidel, Dordrecht, Holland, 1974, p. 17.
J. L. Whitten and M. Hackmeyer, J. Chem. Phys., 51, 5584–5596 (1969); M. Hackmeyer and J. L. Whitten, J. Chem. Phys., 54, 3739–3750 (1971).
S. Huzinaga and C. Arran, Phys. Rev., Al, 1285 (1970).
S. Huzinaga and C. Arran, J. Chem. Phys., 54, 1948 (1971).
E. R. Davidson, J. Chem. Phys., 57, 1999 (1972).
H. P. Kelly, Phys. Rev., 136, B896 (1964).
W. J. Hunt and W. A. Goddard III, Chem. Phys. Lett., 3, 414 (1969).
N. Björna, J. Phys., 56, 1412 (1973).
L. R. Kahn, P. J. Hay, and I. Shavitt, J. Chem. Phys., 61, 3530 (1974).
E. R. Davidson, The World of Quantum Chemistry, R. Daudel and B. Pullman (eds.), Dordrecht, Holland, 1974, p. 17.
C. Edmiston and M. Krauss, J. Chem. Phys., 45, 1833 (1966).
W. Meyer, J. Chem. Phys., 58, 1017 (1973).
S. A. Houlden and I. G. Csizmadia, Theoret. Chim. Acta, 36, 275 (1973).
R. J. Buenker, and S. D. Peyerimhoff, J. Chem. Phys., 53, 1368 (1970).
S. Shih, R. J. Buenker and S. D. Peyerimhoff, Chem. Phys. Lett., 16, 244 (1972).
K. Morokuma, S. Kato, K. Kitaura, S. Obara, K. Ohta, and M. Hanamura, in New Horizons of Quantum Chemistry, P. O. Löwdin and B. Pullman (eds.), D. Reidel, Dordrecht, Holland, 1983, pp. 221–241.
S. F. Boys and F. Bernardi, Mol. Phys., 19, 553 (1970).
D. W. Schwenke and G. D. Truhlar, J. Chem. Phys., 82, 2418 (1985).
D. W. Schwenke and G. D. Truhlar, J. Chem. Phys., 84, 4113 (1985).
M. Gutowski, J. H. vanLenthe, J. Veerbeck, and G. Chalasinki, Chem. Phys. Lett., 124, 370 (1985).
C. Msller and M. S. Plesset, Phys. Rev., 46, 618 (1934).
R. K. Nesbet, Proc. R. Soc. London, A230, 312 (1955).
P. Claverie, S. Diner, and J. P. Malrieu, Int. J. Quantum Chem., 1, 751 (1967).
J. L. Whitten and M. Hackmeyer, J. Chem. Phys., 51, 5584 (1969).
E. R. Davidson, in The World of Quantum Chemistry, R. Daudel and B. Pullman (eds.), Reidel, Dordrecht, Holland, 1974, p. 17.
S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem., 8, 61 (1974).
T. L. Allen and H. Shull, J. Chem. Phys., 35, 1644 (1961).
H. Primas, in Modern Quantum Chemistry, Volume 2, O. Sinanoglu, (ed.), Academic Press, New York, 1965, p. 45.
J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem. Symp., 10, 1 (1976).
E. R. Davidson and D. W. Silver, Chem. Phys. Lett., 52, 403 (1977).
W. Kutzelnigg, A. Meunier, B. Levy, and G. Berthier, Int. J. Quantum Chem., 12, 77 (1977).
R. J. Bartlett, Annu. Rev. Phys. Chem., 32, 359–401 (1981).
R. J. Bartlett and G. D. Purvis, Ann. N. Y. Acad. Sci., 367, 62 (1981).
R. Alrichs Theoret. Chim. Acta, 35, 59 (1974).
F. Keil and R. Alrichs, J. Chem. Soc., 98, 4787 (1976).
K. C. Tong and C. Edmiston, J. Chem. Phys., 52, 997 (1970).
C. F. Bender, J. Comput. Phys., 9, 547 (1972).
P. S. Bagus, B. Liu, A. D. McLean, and M. Yoshimime, in Energy, Structure and Reactivity, D. W. Smith and W. B. McRae (eds.), John Wiley, New York, 1973, p. 130.
G. H. F. Diercksen, Theoret. Chim. Acta, 33, 1 (1974).
P. Pendergast and W. H. Fink, J. Comput. Phys., 14, 286 (1974).
I. Shavitt, in Methods of Electronic Structure Theory, H. F. Schaefer III, (ed.), Plenum Press, New York, 1977, pp. 189–275.
P. O. Löwdin, Calcul des Fonctions d’Onde Moléculaire, CNRS, Paris, 1958, p. 23.
M. Kotani, A. Amemiya, E. Ishiguro and T. Kimura, Tables of Molecular Integrals, 2nd ed., Maruzen, Tokyo, 1963.
F. A. Matsen, Adv. Quantum Chem., 1, 59 (1964).
R. Pauncz, Alternant Molecular Orbital Method, Saunders, Philadelphia, 1967.
F. E. Harris, in Energy, Structure and Reactivity, D. W. Smith and W. B. McRae (eds.), John Wiley, New York, 1973, p. 112.
J. I. Musher, J. Phys. (Paris), 31, 4, 51 (1970).
K. Ruedenberg and R. D. Poshusta, Adv. Quantum Chem., 6, 267 (1972).
W. I. Salmon, Adv. Quantum Chem., 8, 37 (1974).
R. K. Nesbet, J. Math. Phys., 2, 701 (1961).
E. R. Davidson, Int. J. Quantum Chem., 8, 83 (1974).
M. A. Melvin, Rev. Mod. Phys., 28, 18 (1956).
P. O. Löwdin, Rev. Mod. Phys., 39, 259 (1967).
J. Killingbeck, J. Math. Phys., 11, 2268 (1970).
A. Golebiewski, Mol. Phys., 20, 481 (1971).
G. A. Gallup, Int. J. Quantum Chem., 8, 267 (1974).
R. McWeeny, Symmetry—An Introduction to Group Theory and Its Applications, Pergamon, London, 1963.
R. Moccio, Theoret. Chim. Acta, 7, 85 (1967).
I. Shavitt, Methods of Electronic Structure Theory, Volume 3, H. F. Schaefer III (ed.), Plenum Press, New York, 1977, p. 189.
J. Paldus, in Theoretical Chemistry: Advances and Perspectives, Volume 2, H. Eyring and D. G. Henderson (eds.), Academic Press, New York, 1976, p. 131.
I. Shavitt, in New Horizons of Quantum Chemistry, P. W. Löwdin and B. Pullman (eds.), D. Reidel, Holland, 1983, pp. 279–293.
D. Fox, N. Handy, P. Saze, and H. F. Schaefer III, 183st American Chemical Society Meeting, Las Vegas, Nevada, 1982.
J. H. Wilkinson, The Algebraic Eigenvalue Problem, Oxford University Press, London, 1965.
J. H. Wilkinson and C. Reinsch, Linear Algebra, Springer-Verlag, New York, 1971.
H. R. Schwarz, H. Rutishauser, and E. Steifel, Numerical Analysis of Symmetric Matrices, Prentice-Hall, Englewood Cliffs, NJ, 1973.
G. W. Stewart, Information Processing 74, North-Holland, Amsterdam, 1974.
I. Shavitt, Methods of Electronic Structure Theory, Volume 3, H. F. Schaefer III (ed.), Plenum Press, New York, 1977, p. 189.
G. W. Stewart, Proc. IFIP Congress 74, Stockholm, p. 666, North-Holland, Amsterdam, 1974.
I. Shavitt, C. F. Bender, A. Pipano, and R. P. Hosteny, J. Comput. Phys., 11, 90 (1973).
S. Falk, Z. Angew. Math. Mech., 53, 73 (1973).
E. R. Davidson, J. Comput. Phys., 17, 87 (1975).
R. K. Nesbet, J. Chem. Phys., 43, 311 (1965).
B. O. Roos and P. E. M. Siegbahn, Methods of Electronic Structure Theory, Volume 3, H. F. Schaefer, III (ed.), Plenum Press, New York, 1977, p. 277.
B. O. Roos, Chem. Phys. Letters, 15, 153 (1972).
R. F. Hausman, Jr., S. D. Bloom and C. F. Bender, Chem. Phys. Lett., 32, 483 (1975).
C. F. Bender, J. Comp. Phys., 30, 324 (1979).
G. R. Taylor and R. G. Parr, Proc. U.S. Nat. Acad. Sci. U.S.A., 38, 154 (1952).
M. J. M. Bernal and S. F. Boys, Philos. Trans. R. Soc., (London), A245, 139 (1952).
S. F. Boys, Proc. Roy. Soc. (London), A217, 136, 235 (1953).
D. Kastler, J. Chim. Phys., 50, 556 (1953).
A. Meckler, J. Chem. Phys., 21, 1750 (1953).
R. F. Hausman, Jr. and C. F. Bender, Methods of Electronic Structure Theory, H. F. Schaefer, III (ed.), Plenum Press, New York, 1977, Chapter 8, 319–338.
T. H. Dunning, J. Chem. Phys., 53, 2823 (1970).
J. Franck, Trans. Faraday. Soc., 21, 536 (1925).
E. U. Condon, Phys. Rev., 32, 858 (1928).
P. Saxe, H. F. Schaefer, III, and N. C. Handy, Chem. Phys. Lett., 79, 202 (1981).
W. Kolos and L. Wolniewicz, J. Chem. Phys., 41, 3663–3678 (1964).
W. Kolos and L. Wolniewicz, J. Chem. Phys., 43, 2429–2441 (1965).
W. Kolos and L. Wolniewicz, J. Chem. Phys., 49, 404–410 (1968).
H. M. James and A. S. Coolidge, J. Chem. Phys., 1, 825 (1933).
M. B. Robin, H. Bosch, N. Kuebler, B. E. Kaplan, and J. Meinwold, J. Chem. Phys., 48, 5037 (1968).
J. M. Schulman, J. W. Moskowitz, and C. Hollister, J. Chem. Phys., 46, 2759 (1967).
U. Kaldor and I. Shavitt, J. Chem. Phys., 48, 191 (1968).
T. H. Dunning, Jr., W. J. Hunt and W. A Goddard III, Chem. Phys. Lett., 4, 147 (1969).
R. J. Buenker, S. D. Peyermihoff, and W. E. Kammer, J. Chem. Phys., 55, 814 (1971).
E. Miron, B. Raz, and J. Jortner, Chem. Phys. Lett., 6, 563 (1970).
J. A. Ryan and J. L. Whitten, Chem. Phys. Lett., 15, 119–123 (1972).
C. F. Bender, T. H. Dunning, Jr., H. F. Schaefer III, W. A. Goddard, and W. J. Hunt, Chem. Phys. Lett., 15, 171–178 (1982).
H. Basch, Chem. Phys. Lett., 19, 323–327 (1973).
R. J. Buenker and S. D. Peyerimhoff, Chem. Phys., 9, 75–89 (1976).
L. E. McMurchie and E. R. Davidson, J. Chem. Phys., 66, 2959 (1959).
A. C. Wahl and G. Das, in Methods of Electronic Structure Theory, H. F. Schaefer, III (ed.), Plenum Press, New York, 1977, pp. 51–78.
G. Das, J. Chem. Phys., 58, 5104 (1973).
G. Das, T. Jams, and A. C. Wahl, J. Chem. Phys., 61, 1274 (1974).
J. Hinze, J. Chem. Phys., 59, 6424 (1973).
B. Levy and G. Berthier, Int. J. Quantum Chem., 2, 307 (1968).
B. Levy and G. Berthier, Int. J. Quantum Chem., 3, 247 (1969).
R. C. Raffenetti and K. Ruedenberg, Int. J. Quantum Chem., 34, 625 (1970).
J. Olsen, D. L. Yeager, and P. Jorgensen, Adv. Chem. Phys., LIV, 1–176 (1983).
A. C. Hurley, Electron Correlation in Small Molecules, Academic Press, New York, 1976, pp. 22–30.
G. Das and A. C. Wahl, J. Chem. Phys., 44, 87 (1966).
G. Das and A. C. Wahl, J. Chem. Phys., 47, 2934 (1967).
G. Das and A. C. Wahl, J. Chem. Phys., 56, 1769 (1972).
G. Das and A. C. Wahl, Phys. Rev. Lett., 24, 440 (1970).
G. Das and A. C. Wahl, J. Hinze, J. Chem. Phys., 59, 6424 (1973).
T. L. Gilbert, Phys. Rev., A6, 580 (1972).
A. F. Wagner, G. Das. and A. C. Wahl, J. Chem. Phys., 60, 1885 (1974).
W. B. England, N. H. Sabelli, and A. C. Wahl, J. Chem. Phys., 63, 4596 (1975).
R. Shepard, Ab Initio Methods in Quantum Chemistry, Volume 2, K. P. Lawley (ed.), John Wiley, New York, 1987, pp. 64–196.
H. Shull, J. Chem. Phys., 30, 1405 (1959).
L. Pauling, Proc. R. Soc. (London), A196, 343 (1949).
A. C. Hurley, J. E. Lennard-Jones and J. A. Pople, Proc. R. Soc. (London), A220, 446 (1953).
L. A. Schmid, Phys. Rev., 92, 1373 (1953).
J. M. Parks and R. G. Parr, J. Chem. Phys., 28, 335 (1958).
J. M. Parks and R. G. Parr, J. Chem. Phys., 32, 1657 (1960).
E. Kapuy, Acts Phys. Acad. Sci. Hung., 9, 237 (1958).
E. Kapuy, Acts Phys. Acad. Sci. Hung., 10, 125 (1959).
E. Kapuy, Acts Phys. Acad. Sci. Hung., 11, 409 (1960).
E. Kapuy, Acts Phys. Acad. Sci. Hung., 12, 185 (1960).
M. Karplus and D. M. Grant, Proc. Natl. Acad. Sci. U.S.A., 45, 1269 (1959).
R. M. McWeeny and K. A. Ohno, Proc. R. Soc. (London), A255, 367 (1960).
T. Arai, J. Chem. Phys., 33, 95 (1960).
W. Kutzelnigg, J. Chem. Phys., 40, 3640–3647 (1964).
R. McWeeny and K. A. Ohno, Proc. R. Soc. (London), A255, 367 (1960).
E. Kapuy, Acta Phys. Acad. Sci. Hung., 12, 185, 351 (1960).
E. Kapuy, Acta Phys. Acad. Sci. Hung., 13, 345, 461 (1961).
D. D. Ebbing and R. C. Henderson, J. Chem. Phys., 42, 2225 (1965).
K. J. Miller and K. Ruedenberg, J. Chem. Phys., 48, 3414, 3444–3450 (1968).
W. Kutzelnigg, J. Chem. Phys., 40, 3640 (1964).
J. Loter and R. E. Christoffersen, Int. J. Quantum Chem., 3, 651–661 (1969).
D. D. Ebbing and R. C. Henderson, J. Chem. Phys., 42, 2225–2231 (1965).
R. Alrichs and W. Kutzelnigg, J. Chem. Phys., 48, 1819–1832 (1968).
E. L. Mehler, K. Ruedenberg, and D. M. Silver, J. Chem. Phys., 52, 1181–1205 (1970).
W. Kutzelnigg, Methods of Electronic Structure Theory, Volume 3, H. F. Schaefer III (ed.), 3, Plenum Press, New York, 1977, pp. 129–188.
A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, Macmillan, New York, 1982.
R. Alrichs, H. Lischka, V. Staemmler, and W. Kutzelnigg, J. Chem. Phys., 62, 1225–1234 (1975).
R. Alrichs, F. Driessler, H. Lischka, V. Staemmler, and W. Kutzelnigg, J. Chem. Phys., 62, 1235–1247 (1975).
R. K. Nesbet, T. L. Barr, and E. R. Davidson, Chem. Phys. Lett., 4, 203 (1969).
J. Cizek and J. Paldus, Phys. Scripta, 21, 251 (1980).
W. Meyer, Methods of Electronic Structure Theory, Volume 3, H. F. Schaefer III, (ed.), Plenum Press, New York, 1977, pp. 413–446.
E. L. Mehler, Theoret. Chim. Acta, 35, 17–32 (1974).
F. W. Bobrowicz and W. A. Goddard III, Modern Theoretical Chemistry, Volume 3, M. F. Schaefer III (ed.), Plenum Press, New York, 1977, pp. 79–127.
W. A. Goddard, Phys. Rev., 157, 81–93 (1967).
W. J. Hunt, P. J. Hay and W. A. Goddard III, J. Chem. Phys., 57, 738–748 (1972).
W. A. Goddard III and L. B. Harding, Annu. Rev. Phys. Chem., 29, 363 (1978).
W. A. Goddard III, T. H. Dunning Jr., W. J. Hunt, and P. J. Hay, Acc. Chem. Res., 6, 368 (1973).
B. J. Moss and W. A. Goddard III, J. Chem. Phys., 63, 3523–3531 (1975).
W. A. Goddard III and R. D. Ladner, J. Am. Chem. Soc., 93, 6750–6756 (1971).
E. Clementi, J. Mehl, and W. vonNiessen, J. Chem. Phys., 54, 508–520 (1971).
R. E. Christoffersen and G. M. Maggiora, Chem. Phys. Lett., 3, 419–423 (1969).
R. E. Christoffersen, Adv. Quantum Chem., 6, 333–393 (1972).
R. E. Christoffersen, D. Spangler, G. G. Hall, and G. M. Maggiora, J. Am. Chem. Soc., 95, 8526–8536 (1973).
G. M. Maggiora and R. E. Christoffersen, J. Am. Chem. Soc., 98, 8325–8332 (1976).
A. A. Frost, J. Chem. Phys., 47, 3707–3714 (1967).
A. A. Frost, J. Am. Chem. Soc., 89, 3064 (1967).
A. A. Frost, J. Am. Chem. Soc., 90, 1965 (1967).
A. A. Frost, J. Phys. Chem., 72, 1289 (1968).
J. L. Whitten and M. Hackmeyer, J. Chem. Phys., 51, 5584–5596 (1969).
J. D. Petke, R. E. Christoffersen, G. M. Maggiora, and L. L. Shipman, Int. J. Quantum Chem., Quantum Biol. Symp., 4, 343 (1977).
L. E. Nitzche, C. Chabalowski, and R. E. Christoffersen, J. Am. Chem. Soc., 98, 4797–4801 (1978).
J. D. Petke, G. M. Maggiora, L. L. Shipman, and R. E. Christoffersen, Photochem. Photobiol., 30, 203–223 (1979).
J. D. Petke, G. M. Maggiora, L. L. Shipman, and R. E. Christoffersen, J. Mol. Spectrosc., 71, 64–84 (1978).
For a review see, for example, R. J. Bartlett, Annu. Rev. Phys. Chem., 32, 359–401 (1981).
K. F. Freed, Annu. Rev. Phys. Chem., 22, 771 (1967).
A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, MacMillan, New York, 1982.
K. A. Brueckner, Phys. Rev., 97, 1353.
K. A. Brueckner, Phys. Rev., 100, 36 (1955).
K. A. Brueckner, R. J. Eden, and N. C. Francis, Phys. Rev., 93, 1445 (1955).
K. Brueckner and C. A. Levinson, Phys. Rev., 97, 1344 (1955).
J. Goldstone, Proc. R. Soc. (London), A239, 267 (1957).
H. P. Kelly, Adv. Chem. Phys., 14, 129 (1969).
F. Coester, Nucl. Phys., 1, 421 (1958).
F. Coester and H. Kümmel, Nucl. Phys., 17, 477 (1960).
H. Kümmel, Nucl. Phys., 22, 177 (1969).
J. Cizek, J. Chem. Phys., 45, 4256 (1966).
J. Cizek, Adv. Chem. Phys., 14, 35 (1969).
J. Paldus and J. Cizek, Energy, Structure and Reactivity, D. W. Smith and W. B. McRae (ed.), John Wiley, New York, 1973, p. 389.
C. Moeller and M. S. Plesset, Phys. Rev., 46, 618 (1934).
R. J. Bartlett, Annu. Rev. Phys. Chem., 32, 359–401 (1981).
R. J. Bartlett, Annu. Rev. Phys. Chem., 32, 359–401 (1981).
H. P. Kelly, Phys. Rev. Lett., 23, 455 (1969).
J. H. Miller and H. P. Kelly, Phys. Rev. Lett., 26, 679 (1971).
J. H. Miller and H. P. Kelly, Phys. Rev., A4, 480 (1971).
J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem. Symp., 10, 1 (1976).
J. A. Pople. R. Seeger, and R. Krishnan, Int. J. Quantum Chem. Symp., 11, 149 (1977).
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem., 14, 545 (1978).
R. Krishnan and J. A. Pople, Int. J. Quantum Chem. Symp., 14, 91 (1978).
R. Krishnan, M. J. Frisch, and J. A. Pople, J. Chem. Phys., 72, 4244 (1980).
M. J. Frisch, R. Krishnan, and J. A. Pople, Chem. Phys. Lett., 75, 66 (1980).
H. Weinstein, R. Osman, W. D. Edwards, and J. P. Green, Int. J. Quantum Chem., 5, 449 (1978).
R. Osman, S. Topiol, H. Weinstein, and J. E. Eilers, Chem. Phys. Lett., 73, 399 (1978).
J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem. Symp., 10, 1 (1976).
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem., 14, 545 (1978).
P. K. Pearson, H. F. Schaefer II, and U. Walgren, J. Chem. Phys., 62, 350 (1975).
A. G. Maki and R. L. Sams, unpublished data referred to in R. J. Bartlett, Annu. Rev. Phys. Chem., 32, 359–401 (1981).
L. T. Redmond, G. D. Purvis, and R. J. Bartlett, J. Am. Chem. Soc., 101, 2855 (1979).
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Christoffersen, R.E. (1989). Beyond Hartree-Fock Theory. In: Basic Principles and Techniques of Molecular Quantum Mechanics. Springer Advanced Texts in Chemistry. Springer, New York, NY. https://doi.org/10.1007/978-1-4684-6360-6_12
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