Collect. Czech. Chem. Commun. 2003, 68, 240-252
https://doi.org/10.1135/cccc20030240

Application of MP2 Results in Comparative Studies of Semiempirical Ground-State Energies of Large Atoms

Jesus R. Floresa, Karol Jankowskib,* and Romuald Słupskic

a Departamento de Química Física y Química Orgánica, Universidad de Vigo, 36-200 Vigo, Spain
b Institute of Physics, Nicholas Copernicus University, 87-100 Toruń, Poland
c Computing Centre, Nicholas Copernicus University, 87-100 Toruń, Poland

References

1. Hohenberg P., Kohn W.: Phys. Rev. B 1964, 136, 864. <https://doi.org/10.1103/PhysRev.136.B864>
2. Kohn W., Sham L. S.: Phys. Rev. A 1965, 140, 1133. <https://doi.org/10.1103/PhysRev.140.A1133>
3. Parr R. G., Yang W.: Density-Functional Theory of Atoms and Molecules. Oxford University Press, New York 1989.
4. Koch W., Holdhausen M. C.: A Chemists Guide to Density Functional Theory. Wiley & Sons, New York 2000.
5. Davidson E. R., Hagstom S. A., Chakravorty S. J., Umar V. M., Froese Fischer C.: Phys. Rev. A: At., Mol., Opt. Phys. 1991, 44, 7071. <https://doi.org/10.1103/PhysRevA.44.7071>
6. Jarzęcki A. A., Davidson E. R.: Phys. Rev. A: At., Mol., Opt. Phys. 1998, 58, 1902. <https://doi.org/10.1103/PhysRevA.58.1902>
7. Valderrama E., Ludeńa E. V., Hinze J.: J. Chem. Phys. 1999, 110, 2343. <https://doi.org/10.1063/1.477970>
8. Miehlich B., Stoll H., Savin A.: Mol. Phys. 1997, 91, 527. <https://doi.org/10.1080/00268979709482742>
9. Kohout M., Savin A.: J. Comput. Chem. 1997, 18, 1431. <https://doi.org/10.1002/(SICI)1096-987X(199709)18:12<1431::AID-JCC1>3.0.CO;2-K>
10. Cencek W., Komasa J., Rychlewski J. in: Hanbook on Parallel and Distributed Processing: High-Performance Computing in Molecular Sciences (J. Blazewicz, K. Ecker, B. Plateau and D. Trystam, Eds), p. 505. Springer, Berlin 2000.
11. Noro T., Ohtsuki K., Sasaki F.: Int. J. Quantum Chem. 1994, 51, 225. <https://doi.org/10.1002/qua.560510406>
12. Löwdin P. O.: Adv. Chem. Phys. 1959, 2, 207. <https://doi.org/10.1002/9780470143483.ch7>
13. Meyer H., Müller T., Schweig A.: Chem. Phys. 1995, 191, 213. <https://doi.org/10.1016/0301-0104(94)00387-P>
14. Müller H., Kutzelnigg W., Noga J.: Mol. Phys. 1997, 92, 354. <https://doi.org/10.1080/002689797170284>
15. Gdanitz R. J.: J. Chem. Phys. 1998, 109, 9795. <https://doi.org/10.1063/1.477649>
16. Scherr C. W., Silverman J. N., Matsen F. A.: Phys. Rev. 1962, 137, 830. <https://doi.org/10.1103/PhysRev.127.830>
17a. Clementi E.: J. Chem. Phys. 1963, 38, 2248. <https://doi.org/10.1063/1.1733957>
17b. Clementi E.: IBM J. Res. Dev. 1965, 3, 2. <https://doi.org/10.1147/rd.91.0002>
18. Anno T., Teruya H.: J. Chem. Phys. 1989, 91, 4738. <https://doi.org/10.1063/1.456763>
19. Chakravorty S. J., Gwaltney S. R., Davidson R. E., Parpia F. A., Froese Fischer C.: Phys. Rev. A: At., Mol., Opt. Phys. 1993, 47, 3649. <https://doi.org/10.1103/PhysRevA.47.3649>
20. Chakravorty S. J., Davidson R. E.: J. Phys. Chem. 1996, 100, 6167. <https://doi.org/10.1021/jp952803s>
21. Chakravorty S., Clementi E.: Phys. Rev. A: At., Mol., Opt. Phys. 1989, 39, 2290. <https://doi.org/10.1103/PhysRevA.39.2290>
22. Clementi E., Corongiu G.: Int. J. Quantum Chem. 1997, 62, 571. <https://doi.org/10.1002/(SICI)1097-461X(1997)62:6<571::AID-QUA2>3.0.CO;2-T>
23. Flores J. R., Jankowski K., Słupski R.: Mol. Phys. 2000, 98, 1125. <https://doi.org/10.1080/00268970050080492>
24. Møller M. S., Plesset M. S.: Phys. Rev. 1934, 36, 618. <https://doi.org/10.1103/PhysRev.46.618>
25. Sinanoglu O.: Adv. Chem. Phys. 1964, 6, 315. <https://doi.org/10.1002/9780470143520.ch7>
26. Jankowski K., Malinowski P.: Phys. Rev. A: At., Mol., Opt. Phys. 1980, 21, 45. <https://doi.org/10.1103/PhysRevA.21.45>
27. Flores J. R.: Chem. Phys. Lett. 1992, 195, 337. <https://doi.org/10.1016/0009-2614(92)85620-P>
28. Schwartz C.: Phys. Rev. 1962, 126, 1015. <https://doi.org/10.1103/PhysRev.126.1015>
29. Flores J. R.: Chem. Phys. Lett. 1997, 270, 427. <https://doi.org/10.1016/S0009-2614(97)00386-2>
30. Andrae D., Brodbeck R., Hinze J.: Int. J. Quantum Chem. 2001, 82, 227. <https://doi.org/10.1002/qua.1043>
31. Clementi E., Chakravorty S. J.: J. Chem. Phys. 1990, 93, 2591. <https://doi.org/10.1063/1.458899>
32. Clementi E., Hofmann D. W. M.: THEOCHEM 1995, 330, 17. <https://doi.org/10.1016/0166-1280(94)03814-2>
33. Vosko S. H., Wilk L., Nusair M.: Can. J. Phys. 1980, 58, 1200. <https://doi.org/10.1139/p80-159>
34. van Leeuven R., Baerends E. J.: Phys. Rev. A: At., Mol., Opt. Phys. 1994, 49, 2421. <https://doi.org/10.1103/PhysRevA.49.2421>
35. Flores J. R.: J. Chem. Phys. 1993, 98, 5642. <https://doi.org/10.1063/1.464908>
36. Flores J. R., Redondo P.: J. Comput. Chem. 1994, 15, 782. <https://doi.org/10.1002/jcc.540150710>