Collect. Czech. Chem. Commun. 2005, 70, 1035-1054
https://doi.org/10.1135/cccc20051035

Numerical Methods for the Evaluation of the Löwdin α-Function

Nemanja Sovic and James D. Talman*

Department of Applied Mathematics and Centre for Chemical Physics, University of Western Ontario, London, Ontario, Canada N6A 5B7

References

1. Froese Fischer C.: The Hartree–Fock Method for Atoms. Wiley-Interscience, New York 1977.
2a. Talman J. D.: Phys. Rev. Lett. 2000, 84, 855. <https://doi.org/10.1103/PhysRevLett.84.855>
2b. Talman J. D.: Int. J. Quantum Chem. 2003, 95, 442. <https://doi.org/10.1002/qua.10781>
3. Löwdin P.-O.: Adv. Phys. 1955, 5, 1. <https://doi.org/10.1080/00018735600101155>
4a. Talman J. D.: J. Comput. Phys. 1978, 29, 35. <https://doi.org/10.1016/0021-9991(78)90107-9>
4b. Talman J. D.: Comput. Phys. Commun. 1983, 30, 93. <https://doi.org/10.1016/0010-4655(83)90126-1>
5. Prosser F. P., Blanchard C. H.: J. Chem Phys. 1962, 36, 1112. <https://doi.org/10.1063/1.1732673>
6. For references, see: Antolovic D., Silverstone H. J.: Int. J. Quantum. Chem. 2004, 100, 146. <https://doi.org/10.1002/qua.20123>
7. For a review, see: Grotendorst J.: Ph.D. Thesis. University of Regensburg.
8. For references, see: Safouhi H.: Int. J. Quantum Chem. 2004, 100, 172. <https://doi.org/10.1002/qua.20209>
9. Sharma R. R.: Phys. Rev. A: At., Mol., Opt. Phys. 1981, 13, 517. <https://doi.org/10.1103/PhysRevA.13.517>
10. Silverstone H. J., Moats R. K.: Phys. Rev. A: At., Mol., Opt. Phys. 1977, 16, 1723. <https://doi.org/10.1103/PhysRevA.16.1731>
11. Rashid M. A.: J. Math. Phys. 1981, 22, 271. <https://doi.org/10.1063/1.524899>
12. Talman J. D.: J. Chem. Phys. 1984, 80, 2000. <https://doi.org/10.1063/1.446963>