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Extended Geminal Models

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Correlation and Localization

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 203))

Abstract

The extended geminal models are reviewed with emphasis both on their conceptual structure and computational feasibility. A new numerical model which drastically reduced the computation time at the cost of a very small reduction in accuracy, is introduced. A review of the applications of the extended geminal models to studies of intermolecular interactions is given, and the neon dimer is considered in more detail to illustrate the properties of these models.

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References

  1. Hurley AC, Lennard-Jones J, Pople JA (1953) Proc Roy Soc Ser A220:446

    Article  CAS  Google Scholar 

  2. Gerratt J (1971) Adv Atom Mol Phys 7:141

    Article  Google Scholar 

  3. Gerratt J (1976) Proc Roy Soc Lond A350:363

    Google Scholar 

  4. Gerratt J, Raimondi M (1976) Proc Roy Soc Lond A371:525

    Google Scholar 

  5. Cooper DL, Gerratt J, Raimondi M (1991) Chem Rev 91:929

    Article  CAS  Google Scholar 

  6. Røeggen I (1983) J Chem Phys 79:5220

    Article  Google Scholar 

  7. Røeggen I (1983) J Chem Phys 78:2485

    Article  Google Scholar 

  8. Røeggen I (1986) J Chem Phys 85:262

    Article  Google Scholar 

  9. Røeggen I (1987) Int J Quantum Chem 31:951

    Article  Google Scholar 

  10. Røeggen I (1988) J Chem Phys 89:441

    Article  Google Scholar 

  11. Røeggen I (1990) Int J Quantum Chem 37:585

    Article  Google Scholar 

  12. Røeggen I, Ahmadi GR, Wind PA (1993) J Chem Phys 99:277

    Article  Google Scholar 

  13. Røeggen I, Almlöf J, Ahmadi GR, Wind PA (1995) J Chem Phys 102:7088

    Article  Google Scholar 

  14. Røeggen I, Wind PA (1996) J Chem Phys 105:2751

    Article  Google Scholar 

  15. Ladner RC, GoddardIII WA (1969) J Chem Phys 51:1073

    Article  CAS  Google Scholar 

  16. Goddard III WA, Ladner RC (1971) J Am Chem Soc 93:6750

    Article  CAS  Google Scholar 

  17. Hunt WJ, Hay PJ, Goddard III WA (1972) J Chem Phys 57:738

    Article  Google Scholar 

  18. Saunders VR, Guest MF (1974) In: Proceedings of the SRC Atlas Symposium, No. 4: Quantum Chemistry-The State of the Art

    Google Scholar 

  19. Bobrowicz FW, Goddard III WA (1979) In: Schaefer III HF (ed) Modern Theoretical Chemistry. Plenum Press, New York

    Google Scholar 

  20. Røeggen I (1981) Int J Quantum Chem 19:319

    Article  Google Scholar 

  21. McWeeny R (1979) Coulson’s Valence, Oxford University Press, Oxford

    Google Scholar 

  22. Boys SF (1966) In: Löwdin PO (ed) Quantum Theory of Atoms, Molecules and the Solid State. Academic Press, New York

    Google Scholar 

  23. Robb MA, Haines WJ, Csizmadia IG (1973) J Am Chem Soc 95:42

    Article  CAS  Google Scholar 

  24. Csizmadia IG (1985) In: Chalvet O, Daudel R, Diner S, Malrieu JP (eds) Localization and Delocalization in Quantum Chemistry. Reidel, Dordrecht

    Google Scholar 

  25. Røeggen I (1991) Int J Quantum Chem 40:951

    Article  Google Scholar 

  26. Edmiston C, Ruedenberg K (1963) Rev Mod Physics 35:457

    Article  CAS  Google Scholar 

  27. Ahmadi GR, Røeggen I (1977) Theor Chem Acc 97:41

    Google Scholar 

  28. Røeggen I, Wisløf-Nilssen E (1987) J Chem Phys 86:2869

    Article  Google Scholar 

  29. Røeggen I (1986) J Chem Phys 85:262

    Article  Google Scholar 

  30. Røeggen I, Dahl T (1992) J Am Chem Soc 114:511

    Article  Google Scholar 

  31. Beebe NHF, Linderberg J (1977) Int J Quantum Chem 12:683

    Article  CAS  Google Scholar 

  32. Røeggen I, Wisøf-Nilssen E (1986) Chem Phys Lett 132:154

    Article  Google Scholar 

  33. Røeggen I, Skullerud HR (1992) J Phys B At Mol Opt Phys 25:1795

    Article  Google Scholar 

  34. Ahmadi GR, Røeggen I (1994) J Phys B At Mol Opt Phys 27:5603

    Article  CAS  Google Scholar 

  35. Ahmadi GR, Almlöf J, Røeggen I (1995) Chem Phys 199:33

    Article  CAS  Google Scholar 

  36. Røeggen I, Skullerud HR, Elford MT (1996) J Phys B At Mol Opt Phys 29:1913

    Article  Google Scholar 

  37. Skullerud HR, Røeggen I, Løvaas TH (1992) J Phys B At Mol Opt Phys 25:1811

    Article  CAS  Google Scholar 

  38. Skullerud HR, Elford MT, Røeggen I, (1996) J Phys B At Mol Opt Phys 29:1925

    Article  CAS  Google Scholar 

  39. Røeggen I, Ahmadi GR (1994) J Mol Struct (Theochem) 307:9

    Article  Google Scholar 

  40. Dahl T, Røeggen I (1996) J Am Chem Soc 118:4152

    Article  CAS  Google Scholar 

  41. Røeggen I, Wind P (1992) Chem Phys 167:247

    Article  Google Scholar 

  42. Wind P, Røeggen I (1992) Chem Phys 167:263

    Article  CAS  Google Scholar 

  43. Wind P, Røeggen I (1993) Chem Phys 174:345

    Article  CAS  Google Scholar 

  44. Wind P, Røeggen I (1996) Chem Phys 211:179

    Article  CAS  Google Scholar 

  45. Røeggen I, Almlöf J (1995) J Chem Phys 102:7095

    Article  Google Scholar 

  46. Røeggen I, Almlöf J (1996) J Mol Struct (Theochem) 388:331

    Google Scholar 

  47. Røeggen I, Almlöf J (1996) Int J Quantum Chem 60:453

    Article  Google Scholar 

  48. Wind P, Røeggen I (1996) Chem Phys 206:307

    Article  CAS  Google Scholar 

  49. Van Duijneveldt FB (1971) IBM Research Report RJ945

    Google Scholar 

  50. Dunning Jr TH (1989) J Chem Phys 90:1007

    Article  CAS  Google Scholar 

  51. Aziz RA, Slaman MJ (1987) Chem Phys 130:187

    Article  Google Scholar 

  52. Boys SF (1960) Rev Mod Phys 32:296

    Article  CAS  Google Scholar 

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© 1999 Springer Verlag Berlin Heidelberg

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Røeggen, I. (1999). Extended Geminal Models. In: Surján, P.R., et al. Correlation and Localization. Topics in Current Chemistry, vol 203. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-48972-X_5

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  • DOI: https://doi.org/10.1007/3-540-48972-X_5

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-65754-5

  • Online ISBN: 978-3-540-48972-6

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