Theoretical Study of Positronic Atoms with Adiabatic Separation of Positronic Motion

• Authors: K. Strasburger , M. Wołcyrz
• Languages of publication: EN

Abstracts

EN

A modified adiabatic approximation, with the positron treated as a light nucleus and its charge included only partially in the electronic Hamiltonian, was applied to compute the energies and properties of bound states of lithium positride, positronic beryllium and positronic magnesium. The electronic Schrödinger equation was solved with the configuration interaction method. No bound state was obtained for lithium positride, while the dissociation energies of positronic beryllium and positronic magnesium were underestimated by 2.6 and 7 millihartrees, respectively. Consequences for the applicability of the adiabatic approximation to describe positronic systems are discussed.

Keywords

EN

34.20.Cf; 31.50.Bc; 36.10.Dr

Discipline

• 34.20.Cf: Interatomic potentials and forces
• 36.10.Dr: Positronium(see also 82.30.Gg Positronium chemistry)
• 31.50.Bc: Potential energy surfaces for ground electronic states

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2008
• Volume: 113
• Issue: 5
• Pages: 1533-1542

Dates

published

2008-05

received

2007-09-03

Contributors

author

K. Strasburger

• Institute of Physical and Theoretical Chemistry, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland

author

M. Wołcyrz

• Institute of Physical and Theoretical Chemistry, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland

References

• 1. G.G. Ryzhikh, J. Mitroy, Phys. Rev. Lett. 79, 4124 (1997)
• 2. K. Strasburger, H. Chojnacki, J. Chem. Phys. 108, 3218 (1998)
• 3. J. Mitroy, M.W.J. Bromley, G.G. Ryzhikh, J. Phys. B 35, R81 (2002)
• 4. J. Mitroy, Phys. Rev. A 70, 024502 (2004)
• 5. J. Mitroy, Phys. Rev. Lett. 94, 033402 (2005)
• 6. J. Mitroy, Phys. Rev. A 72, 032503 (2005)
• 7. M.W.J. Bromley, J. Mitroy, K. Varga, Phys. Rev. A 75, 062505 (2007)
• 8. J.-Y. Zhang, J. Mitroy, Phys. Rev. A 76, 014501 (2007)
• 9. D. Bressanini, M. Mella, G. Morosi, J. Chem. Phys. 108, 4756 (1998)
• 10. D. Bressanini, M. Mella, G. Morosi, J. Chem. Phys. 109, 1716 (1998)
• 11. M. Mella, G. Morosi, D. Bressanini, J. Chem. Phys. 111, 108 (1999)
• 12. M. Mella, M. Casalegno, G. Morosi, J. Chem. Phys. 117, 1450 (2002)
• 13. M. Mella, D. Bressanini, G. Morosi, J. Chem. Phys. 114, 10579 (2001)
• 14. G.F. Gribakin, J. Ludlow, J. Phys. B, At. Mol. Phys. 35, 339 (2002)
• 15. M.W.J. Bromley, J. Mitroy, G.G. Ryzhikh, Nucl. Instrum. Methods Phys. Res. B 171, 47 (2000)
• 16. M.W.J. Bromley, J. Mitroy, Phys. Rev. A 65, 012505 (2002)
• 17. M.W.J. Bromley, Ph.D. Thesis, Faculty of Science, Information Technology and Education, Northern Territory University, Australia 2002
• 18. M.W.J. Bromley, J. Mitroy, Phys. Rev. A 73, 032507 (2006)
• 19. J. Mitroy, M.W.J. Bromley, Phys. Rev. A 73, 052712 (2006)
• 20. M.W.J. Bromley, J. Mitroy, Phys. Rev. A 75, 042506 (2007)
• 21. K. Strasburger, Chem. Phys. Lett. 253, 49 (1996)
• 22. M. Tachikawa, R.J. Buenker, M. Kimura, J. Chem. Phys. 119, 5005 (2003)
• 23. K. Strasburger, Struct. Chem. 15, 415 (2004)
• 24. R.J. Buenker, H.P. Liebermann, V. Melnikov, M. Tachikawa, L. Pichl, J. Phys. Chem. A 109, 5956 (2005)
• 25. H. Chojnacki, K. Strasburger, Mol. Phys. 104, 2273 (2006)
• 26. H. Stachowiak, E. Boroński, Phys. Rev. B 71, 245107 (2005)
• 27. F. Rolim, J.P. Braga, J.R. Mohallem, Chem. Phys. Lett. 332, 139 (2000)
• 28. J.R. Mohallem, F. Rolim, C.P. Gonçalves, J. Phys. B 37, 1045 (2004)
• 29. F. Rolim, T. Moreira, J.R. Mohallem, Brasilian J. Phys. 34, 1197 (2004)
• 30. F. Rolim, J.R. Mohallem, Acta Phys. Pol. A 107, 661 (2005)
• 31. S. Golden, I.R. Epstein, Phys. Rev. A 10, 761 (1974)
• 32. K. Strasburger, M. Wołcyrz, Mol. Phys. 105, 441 (2007)
• 33. P.O. Widmark, P.A. Malmqvist, B. Roos, Theor. Chim. Acta 77, 291 (1990)
• 34. T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989)
• 35. M.J. Frisch, J.A. Pople, J. Chem. Phys. 80, 3265 (1984)
• 36. V. Magnasco, M. Amelio, J. Chem. Phys. 69, 4706 (1978)
• 37. D. Assafra o, H.R.J. Walters, J.R. Mohallem, Nucl. Instrum. Methods Phys. Res. B 266, 491 (2008)
• 38. PSI 3.2 by T.D. Crawford, C.D. Sherrill, E.F. Valeev, J.T. Fermann, R.A. King, M.L. Leininger, S.T. Brown, C.L. Janssen, E.T. Seidl, J.P. Kenny, W.D. Allen, http://www.psicode.org
• 39. LEVEL 8.0 by Robert J. Le Roy, Dept. of Chemistry, Univ. of Waterloo, Waterloo, Ontario, Canada

Identifiers

DOI

10.12693/APhysPolA.113.1533