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.
Extension of Koopmans’ theorem. I. Derivation
1.T. Koopmans, Physica (Utr.) 1, 104 (1933).
2.O. W. Day, D. W. Smith, and R. C. Morrison, J. Chem. Phys. 62, 115 (1975) (following paper).
3.R. K. Nesbet, Adv. Chem. Phys. 9, 321 (1965).
4.For example, if is approximated by a configuration‐interaction wavefunction with all configurations included (a “full CI” over the orbital basis used), then the model Hamiltonian as the form shown just beneath Eq. (2), where the summations are over only the finite orbital basis being considered. Other possible choices for would be an eigenfunction of the Hubbard Hamiltonian or the Pariser‐Parr‐Pople Hamiltonian, for example.
5.O. W. Day, D. W. Smith, and C. Garrod, Int. J. Quantum Chem. Symp. 8, 501 (1974).
6.D. W. Smith and O. W. Day, Int. J. Quantum Chem. Symp. 8, 511 (1974).
7.P. O. Löwdin, Phys. Rev. 97, 1474 (1955).
Article metrics loading...
Full text loading...
Most read this month
Most cited this month