No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Perturbation corrections to Koopmans' theorem. III. Extension to molecules containing Si, P, S, and Cl and comparison with other methods
1.D. P. Chong, F. G. Herring, and D. McWilliams, J. Chem. Phys. 61, 78 (1974).
2.D. P. Chong, F. G. Herring, and D. McWilliams, J. Chem. Phys. 61, 958 (1974).
3.T. Koopmans, Physica 1, 104 (1934).
4.D. P. Chong, F. G. Herring, and D. McWilliams, Chem. Phys. Lett., 25, 568 (1974).
4.a Except for the single 1s orbital used for hydrogen, an alternative description of our “ zeta” basis set is “valence double‐zeta,” to denote what was called “double‐zeta” by J. W. Richardson, J. Chem. Phys. 35, 1829 (1961).
5.See, for example, A. W. Potts, T. A. Williams, and W. C. Price, Chem. Soc. Faraday Discuss. 54, 104 (1972).
6.K. Siegbahn, C. Nordling, G. Johansson, J. Hedman, P. F. Heden, K. Hamrin, U. Geluis, T. Bergmark, L. O. Werne, R. Manne, and Y. Baer, ESCA Applied to Free Molecules (North‐Holland, Amsterdam, 1969).
7.By intermediate states we mean those states that are not the state of lowest energy for a particular symmetry nor those states which are considered the “atomic” levels observed in XPES.
8.L. S. Cederbaum, G. Hohlneicher, and S. Peyerimhoff, Chem. Phys. Lett. 11, 421 (1971).
9.F. Ecker and G. Hohlneicher, Theoret. Chem. Acta 25, 289 (1972).
10.G. Hohlneicher, F. Ecker, and L. S. Cederbaum, Electron Spectroscopy, edited by D. A. Shirley (North‐Holland, Amsterdam, 1972), p. 647.
11.L. S. Cederbaum, G. Hohlneicher, and W. von Niessen, Chem. Phys. Lett. 18, 503 (1973).
11.The contraction quoted appears to be incorrect, since their results agree with the contraction given by T. H. Dunning, J. Chem. Phys. 55, 3985 (1971). It is Dunning’s contraction that we used to obtain the results in Table II.
12.L. S. Cederbaum, G. Hohlneicher, and W. von Niessen, Mol. Phys. 26, 1405 (1973). All three entries in the last column of their Table III appear to be in error.
13.L. S. Cederbaum, Theoret. Chim. Acta 31, 239 (1973).
14.B. T. Pickup and O. Goscinski, Mol. Phys. 26, 1013 (1973).
15.I. Hubac, V. Kvasnicka, and A. Holubec, Chem. Phys. Lett. 23, 381 (1973).
16.G. Herzberg, Spectra of Diatomic Molecules (Van Nostrand, Princeton, N.J., 1950).
17.L. E. Sutton, Tables of Interatomic Distances and Configurations in Molecules and Ions (Chemical Society, London, 1965).
18.M. H. Sirvetz and R. E. Wilson, J. Chem. Phys. 21, 898 (1953).
19.D. R. Boyd, J. Chem. Phys. 23, 922 (1955).
20.C. C. Costain, J. Chem. Phys. 29, 864 (1958).
21.R. Kewley, P. M. McKinney, and A. G. Robiette, J. Mol. Spectrosc. 34, 390 (1970).
22.S. Huzinaga, Approximate Atomic Functions I and II, University of Alberta Technical Reports, 1971.
23.R. M. Stevens (private communications).
24.M. J. Weiss, G. M. Lawrence, and R. A. Young, J. Chem. Phys. 52, 2967 (1970).
25.D. W. Turner, C. Baker, A. D. Baker, and C. R. Brundle, Molecular Photoelectron Spectroscopy (Wiley‐Interscience, New York, 1970).
26.(a) B. P. Pullen, T. A. Carlson, W. E. Moddeman, G. K. Schweitzer, W. E. Bull, and F. A. Grimm, J. Chem. Phys. 53, 768 (1970);
26.(b) A. W. Potts and W. C. Price, Proc. R. Soc. A 326, 165 (1972).
27.F. Hopfgarten and R. Manne, J. Elect. Spec. Rel. Phen. 2, 13 (1973).
28.D. C. Frost, F. G. Herring, A. Katrib, R. A. N. McLean, J. E. Drake, and N. P. C. Westwood, Can. J. Chem. 49, 4033 (1971).
29.T. A. Carlson, M. O. Krauze, and W. E. Moddeman, J. Phys. (Paris) 32, C4‐76 (1971).
30.Such combined theoretical and experimental studies are now in progress at University of British Colombia.
Article metrics loading...
Full text loading...
Most read this month
Most cited this month