References

 

Publications based on geminal models.

If the author(s) is not specified for a paper in the list of publications, I. Røeggen is single author.

1. I. Røeggen and K. Aashamar:

Pair functions and biorthonormal orbitals in the context of the method of moments. I.Molec. Phys. 33, 453 (1977).

2. Antisymmetric Product of Geminals in the Context of the method of Moments.

Int. J. Quant. Chem. 19, 319 (1981).

3. Electron Correlation Described by an Extended Geminal Model.Int. J. Quant. Chem. 20, 817 (1981).

4. Electron Correlation Described by Extended Geminal Models: The EXGEM2 and EXGEM3 Models.

Int. J. Quant. Chem. 22, 149 (1982).

5. An Extended Geminal Model Calculation of the DissociationEnergy of the Ground State of Li2. 

Chem. Phys. Letters 92, 398 (1982).

6. Electron correlation described by an extended group function model: The EXGF1 model.

J. Chem. Phys. 78, 2485 (1983).

7. Derivation of an extended geminal model.

J. Chem. Phys. 79, 5520 (1983).

8. Intermolecular potentials calculated by an extended geminalmodel: Theory.

J. Chem. Phys. 85, 262 (1986).

9. On the weaknesses of the VSEPR model.

J. Chem. Phys. 85, 969 (1986).

10. I. Røeggen and E. Wisløff-Nilssen: An energy fragment analysis of molecular properties: Theory.

J. Chem. Phys. 86, 2869 (1987).

11. Electron Correlation Described by Extended Geminal Models:The EXGEM4 and EXGEM5 Models.

Int. J. Quantum Chem. 31, 95 (1987).

12. I. Røeggen, K. Morokuma and K. Yamashita: On the binding energy of the ground state of Be2 .

Chem. Phys. Letters 140, 349 (1987).

13. Electron Correlation Described by Extended Geminal Models.

J. Chem. Phys. 89, 441 (1988).

14. I.Røeggen and E.Wisløff-Nilssen: Prediction of a metastable D3h form of tetra oxygen

Chem.Phys.Letters 157, 409 (1989).

15. Electron Correlation Described by Extended Geminal Models:The EXGEM7 and EXRHF3 Models. 

Int.J. Quantum Chem. 37, 585 (1990).

16. Analysis of Hydrogen Bonded Systems: (H20)2, H20HF, (HF)2.

Mol.Phys. 70, 353 (1990).

17. Atoms and Electron-pair Bonds in a Molecule: An Appproachwithin the Context of Extended Geminal Models.

Int. J. Quantum Chem. 40, 149 (1991).

18. I.Røeggen and T.Dahl: An analysis of Weakly bonded EDA Complexes: F2NH3, C12NH3, CIFNH3.

J.am.Chem.Soc. 114, 511 (1992).

19. An Analysis of Electron Donor-Acceptor Complexes: BH3CO, BH3HN3.

Chem.Phys. 162, 271 (1992)

20. An energy decomposition analysis of intermolecular interactions.

J.Math.Chem. 10, 205 (1992).

21. I.Røeggen and H. Skullerud: The interatomic potential for the X 1S state of NeLi+.

J.Phys.B:At.Mol.Phys. 25, 1795 (1992)

22. H.Skullerud, I.Røeggen and T.H.Løvaas: Mobility and diffusion of lithium in neon

J.Phys.B: At.Mol.Phys. 25, 1811 (1992)

23. I.Røeggen and P.Wind:A theoretical study of the H2 dimer. I.Bonding.

Chem.Phys. 167, 247 (1992)

24. P.Wind and I.Røeggen: A theoretical study of the H2 dimer: II. The potential energy surface.

Chem. Phys. 167, 263 (1992)

25. P. Wind and I. Røeggen: A theoretical study of the (H2)2 dimer.Ill. The isotropic potential. 

Chem. Phys. 174, 345 (1993).

26. I. Røeggen, G. R. Ahmadi and P. A. Wind: Intermolecular potentials calculated by an extended group function model: Theory.

J. Chem. Phys. 99, 277 (1993).

27. I. Røeggen and G. R. Ahmadi: A quantchem chemical study of the F- and H-bonded isomers of HF/ClF.

J. Molec. Structure. (Theochem) 307, 9 (1994).

28. G. R. Ahmadi and I. Røeggen: The interatomic potential for the X 1S state of ArLi+.

J. Phys. B: At. Mol. Opt. Phys. 27, 5603 (1994)

29. I. Røeggen, J. Almlöf, G. R. Ahmadi and P. A. Wind: An accurate computational model for the study of intermolecular interactions.

J. Chem. Phys. 102, 7088 (1995)

30. I. Røeggen and J. Almlöf: An accurate calculation of the three-body potential for the ground state of the helium trimer.

J. Chem. Phys. 102, 7095 (1995)

31. G. R. Ahmadi, J. Almlöf and I. Røeggen: The interatomic potential for the X 1S state of ArNa+, NeNa+, HeNa+.

Chem. Phys. 199, 33 (1995)

32. P. Wind and I. Røeggen: Energy expansion in the extended geminal model.

Chem. Phys. 206, 307 (1996)

33. I. Røeggen and J. Almlöf: Interatomic Potential for the X 1S + State of Be2.

Int. J. Quantum Chem. 60, 453 (1996)

34. T. Dahl and I. Røeggen: An Analysis of Electron Donor-Acceptor Complexes: H2OF2, H2OCl2, and H2OClF.

J. Am. Chem. Soc. 118, 4152 (1996).

35. I. Røeggen and P. Wind: Electron correlation, extended geminal models, and intermolecular Interactions: Theory

J. Chem. Phys. 105, 2751 (1996).

36. P.Wind and I. Røeggen: Ab initio calculation of the three-body interaction in the (H2)3 trimer.

Chem. Phys. 211, 179 (1996).

37. I. Røeggen and J. Almlöf: An extended geminal calculation of the three-body potential for the ground state of the helium trimer.

J. Molec. Structure. (Theochem) 388, 331 (1996).

38. G. R. Ahmadi and I. Røeggen: A minimal distortion localization of occupied orbitals in supermolecule calculations of intermolecular interactions.

Theor. Chem. Acc. 97, 41 (1997).

39. Extended geminal models.

  1. Røeggen, in Topics in Current Chemistry, 203, 89 ,

Ed. P. R. Surján (Springer Verlag, Berlin, 1999).

40. M. T. Elford, I. Røeggen and H. R. Skullerud: Interaction potential and transport coefficients for Li+ ions in helium.

J. Phys. B: At. Mol. Opt. Phys. 32, 1873 (1999).

41. I.Røeggen, H. R. Skullerud, T. H. Løvaas and D. K. Dysthe: The Li+ - H2 system in a rigid rotor approximation: potential energy surface and transport coefficients.

J. Phys. B: At. Mol. Opt. Phys. 35, 1707 (2002).

 





A Technology Transfer Project funded by NOTUR