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Independent N-Electron Method and High Accuracy Calculations of the Ground State Energy of the Nonrelativistic Light Atoms (3

Xie, Yanbo

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Abstract

[1]P. Carsky and M. Urban, Ab initio Calculations, Methods and Applications in Chemistry, Springer-Verlag, Berlin (1980). [2]S. Wilson, Electron Correlation in Molecules, Clarendon Press, Oxford (1984). [3]G.X. XU, L.M. LI and D.M. WANG, Quantum Chemistry, Science Press, Beijing (1985) (in Chinese). [4]H.F. Sc .laefer III, Quantum Chemistry, the Development of ab initio Methods in Molecular Electronic Structure Theory, Clarendon Press (1984). [5]D.R. Hartree, Proc. Cambridge Phil. Soc. 23 (1928) 89. [6]V. Fock, Z. Physik 61 (1930) 126; J.C. Slater, Phys. Rev.35 (1930) 210. [7]D.R. Hartree, W. Hartree and B. Swirles, Phil. Trans.Roy. Soc. London A238 (1939) 229. [8]R.K. Nesbet, Proc. Roy. Soc. London A230 (1955) 312. [9]P. Hohenberg and W. Kohn, Phys. Rev. B156 (1964) 864;W. Kohn and L.J. Sham, Phys. Rev. Al40 (1965) 1133. [10]J.K. Labanowski and J.W. Andzelm, Density Functional Methods in Chemistry, Springer-Verlag (1991). [11]R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press (1988). [12]O. Sinanoglu, Adv. Chem. Phys. 6 (1962) 315; R.K. Ne.sbet, Adv. Chem. Phys. 9 (1965) 321; R. Ahlrichs and W.Kutzelnigg, J. Chem. Phys. 48 (1968) 1819; L. Szasz, Z.Naturforsch A15 (1960) 909. [13]J. Cizek, J. Chem. Phys. 45 (1966) 4256; J. Cizek and J.Paldus, Int. J. Quan. Chem. S5 (1971) 359; W. Meyer, J.Chem. Phys. 58 (1973) 1017. [14]B. Brandow, Rev. Mod. Phys. 39 (1967) 771; I. Lindgren, J. Morrison, Atomic Many-Body Theory, 2nd ed.,Springer-Verlag, New York (1986); J.P. Finley, J. Chem.Phys. 108 (1997) 1081. [15]C. Moller and M.S. Plesset, Phys. Rev. 46 (1934) 618. [16]A.K.Q. Siu and E.R. Davidson, Int. J. Quan. Chem. 4(1970) 223. [17]L. Brillouin, J. Phys. Paris 3 (1932) 379, 4 (1933) 1; E.P.Wigner, Math. U. Naturw. Anz. Ungar. Akad. Wiss. 53(1935) 477. [18]L.I. Schiff, Quantum Mechanics, 2nd ed., McGraw-Hill,New York (1955). [19]S. Wilson and D.M. Silver, J. Chem. Phys. 66 (1977)5400.

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[1]P. Carsky and M. Urban, Ab initio Calculations, Methods and Applications in Chemistry, Springer-Verlag, Berlin (1980). [2]S. Wilson, Electron Correlation in Molecules, Clarendon Press, Oxford (1984). [3]G.X. XU, L.M. LI and D.M. WANG, Quantum Chemistry, Science Press, Beijing (1985) (in Chinese). [4]H.F. Sc .laefer III, Quantum Chemistry, the Development of ab initio Methods in Molecular Electronic Structure Theory, Clarendon Press (1984). [5]D.R. Hartree, Proc. Cambridge Phil. Soc. 23 (1928) 89. [6]V. Fock, Z. Physik 61 (1930) 126; J.C. Slater, Phys. Rev.35 (1930) 210. [7]D.R. Hartree, W. Hartree and B. Swirles, Phil. Trans.Roy. Soc. London A238 (1939) 229. [8]R.K. Nesbet, Proc. Roy. Soc. London A230 (1955) 312. [9]P. Hohenberg and W. Kohn, Phys. Rev. B156 (1964) 864;W. Kohn and L.J. Sham, Phys. Rev. Al40 (1965) 1133. [10]J.K. Labanowski and J.W. Andzelm, Density Functional Methods in Chemistry, Springer-Verlag (1991). [11]R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press (1988). [12]O. Sinanoglu, Adv. Chem. Phys. 6 (1962) 315; R.K. Ne.sbet, Adv. Chem. Phys. 9 (1965) 321; R. Ahlrichs and W.Kutzelnigg, J. Chem. Phys. 48 (1968) 1819; L. Szasz, Z.Naturforsch A15 (1960) 909. [13]J. Cizek, J. Chem. Phys. 45 (1966) 4256; J. Cizek and J.Paldus, Int. J. Quan. Chem. S5 (1971) 359; W. Meyer, J.Chem. Phys. 58 (1973) 1017. [14]B. Brandow, Rev. Mod. Phys. 39 (1967) 771; I. Lindgren, J. Morrison, Atomic Many-Body Theory, 2nd ed.,Springer-Verlag, New York (1986); J.P. Finley, J. Chem.Phys. 108 (1997) 1081. [15]C. Moller and M.S. Plesset, Phys. Rev. 46 (1934) 618. [16]A.K.Q. Siu and E.R. Davidson, Int. J. Quan. Chem. 4(1970) 223. [17]L. Brillouin, J. Phys. Paris 3 (1932) 379, 4 (1933) 1; E.P.Wigner, Math. U. Naturw. Anz. Ungar. Akad. Wiss. 53(1935) 477. [18]L.I. Schiff, Quantum Mechanics, 2nd ed., McGraw-Hill,New York (1955). [19]S. Wilson and D.M. Silver, J. Chem. Phys. 66 (1977)5400.

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[1]P. Carsky and M. Urban, Ab initio Calculations, Methods and Applications in Chemistry, Springer-Verlag, Berlin (1980). [2]S. Wilson, Electron Correlation in Molecules, Clarendon Press, Oxford (1984). [3]G.X. XU, L.M. LI and D.M. WANG, Quantum Chemistry, Science Press, Beijing (1985) (in Chinese). [4]H.F. Sc .laefer III, Quantum Chemistry, the Development of ab initio Methods in Molecular Electronic Structure Theory, Clarendon Press (1984). [5]D.R. Hartree, Proc. Cambridge Phil. Soc. 23 (1928) 89. [6]V. Fock, Z. Physik 61 (1930) 126; J.C. Slater, Phys. Rev.35 (1930) 210. [7]D.R. Hartree, W. Hartree and B. Swirles, Phil. Trans.Roy. Soc. London A238 (1939) 229. [8]R.K. Nesbet, Proc. Roy. Soc. London A230 (1955) 312. [9]P. Hohenberg and W. Kohn, Phys. Rev. B156 (1964) 864;W. Kohn and L.J. Sham, Phys. Rev. Al40 (1965) 1133. [10]J.K. Labanowski and J.W. Andzelm, Density Functional Methods in Chemistry, Springer-Verlag (1991). [11]R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press (1988). [12]O. Sinanoglu, Adv. Chem. Phys. 6 (1962) 315; R.K. Ne.sbet, Adv. Chem. Phys. 9 (1965) 321; R. Ahlrichs and W.Kutzelnigg, J. Chem. Phys. 48 (1968) 1819; L. Szasz, Z.Naturforsch A15 (1960) 909. [13]J. Cizek, J. Chem. Phys. 45 (1966) 4256; J. Cizek and J.Paldus, Int. J. Quan. Chem. S5 (1971) 359; W. Meyer, J.Chem. Phys. 58 (1973) 1017. [14]B. Brandow, Rev. Mod. Phys. 39 (1967) 771; I. Lindgren, J. Morrison, Atomic Many-Body Theory, 2nd ed.,Springer-Verlag, New York (1986); J.P. Finley, J. Chem.Phys. 108 (1997) 1081. [15]C. Moller and M.S. Plesset, Phys. Rev. 46 (1934) 618. [16]A.K.Q. Siu and E.R. Davidson, Int. J. Quan. Chem. 4(1970) 223. [17]L. Brillouin, J. Phys. Paris 3 (1932) 379, 4 (1933) 1; E.P.Wigner, Math. U. Naturw. Anz. Ungar. Akad. Wiss. 53(1935) 477. [18]L.I. Schiff, Quantum Mechanics, 2nd ed., McGraw-Hill,New York (1955). [19]S. Wilson and D.M. Silver, J. Chem. Phys. 66 (1977)5400.

Key concepts: Ab initio, Ground state, Physics, Electronic correlation, Density functional theory, Chemistry, Ab initio quantum chemistry methods, Hartree–Fock method

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