Higher-order cusp of the density in certain highly excited states of atoms and molecules

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 33, Issue 9, 2000, Pages 1745-1751

  Nagy, A ^a   Sen, K D ^b  

^a UNIVERSITY OF DEBRECEN   (Hungary)

^b UNIVERSITY OF HYDERABAD   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ELECTRONIC DENSITY OF STATES; FUNCTIONS; GROUND STATE; IONS; MATHEMATICAL MODELS; MOLECULAR PHYSICS;

CUSPS; WAVEFUNCTIONS;

CARRIER CONCENTRATION;

EID: 0033741831     PISSN: 09534075     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-4075/33/9/306     Document Type: Article

References (36)

1. Kato T 1957 Commun. Pure Appl. Math. 10 151
2. Steiner E 1963 J. Chem. Phys. 39 2365 March N H 1975 Self-Consistent Fields in Atoms (Oxford: Pergamon)
3. Steiner E 1963 J. Chem. Phys. 39 2365 March N H 1975 Self-Consistent Fields in Atoms (Oxford: Pergamon)
4. Wilson E B 1968 Structural Chemistry and Biology ed A Rich and N Davidson (San Francisco, CA: Freeman) Handy N C 1996 Quantum Mechanical Simulation Methods for Studying Biological Systems ed D Bicout and M Field (Heidelberg: Springer) p 1
5. Wilson E B 1968 Structural Chemistry and Biology ed A Rich and N Davidson (San Francisco, CA: Freeman) Handy N C 1996 Quantum Mechanical Simulation Methods for Studying Biological Systems ed D Bicout and M Field (Heidelberg: Springer) p 1
6. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
7. Nagy Á 1998 Phys. Rep. 398 1
8. Nagy Á 1998 Int. J. Quantum. Chem. 70 681 Nagy Á 1999 Electron Correlations and Materials Properties ed A Gonis, N Kioussis and M Ciftan (New York: Kluwer) p 451
9. Nagy Á 1998 Int. J. Quantum. Chem. 70 681 Nagy Á 1999 Electron Correlations and Materials Properties ed A Gonis, N Kioussis and M Ciftan (New York: Kluwer) p 451
10. Pack R T and Brown W B 1966 J. Chem. Phys. 45 556
11. Gálvez F J, Porras J, Angulo J C and Dehesa J S 1988 J. Phys. B: At. Mol. Opt. Phys. 21 L271
12. Angulo J C, Dehesa J S and Gálvez F J 1990 Phys. Rev. A 42 641 Angulo J C, Dehesa J S and Gálvez F J 1991 Phys. Rev. A 43 4069 (erratum)
13. Angulo J C, Dehesa J S and Gálvez F J 1990 Phys. Rev. A 42 641 Angulo J C, Dehesa J S and Gálvez F J 1991 Phys. Rev. A 43 4069 (erratum)
14. Angulo J C and Dehesa J S 1991 Phys. Rev. A 44 1516
15. Gálvez F J and Porras J 1991 Phys. Rev. A 44 144
16. Porras J and Gálvez F J 1992 Phys. Rev. A 46 105
17. Esquivel R O, Chen J, Stott M J, Sagar R P and Smith V H Jr 1993 Phys. Rev. A 47 936
18. Esquivel R O, Sagar R P, Smith V H Jr, Chen J and Stott M J 1993 Phys. Rev. A 47 4735
19. Dehesa J S, Koga T and Romera E 1994 Phys. Rev. A 49 4255
20. Koga T 1997 Theor. Chim. Acta 95 113 Koga T and Matsuyama H 1997 Theor. Chim. Acta 98 129
21. Koga T 1997 Theor. Chim. Acta 95 113 Koga T and Matsuyama H 1997 Theor. Chim. Acta 98 129
22. Angulo J C, Koga T, Romera E and Dehesa J S 2000 Theochem. at press
23. Harbola M K and Sahni V 1989 Phys. Rev. Lett. 62 489 See also Sahni V 1995 Nato ASI Series vol B, ed E K U Gross and R M Dreizler (New York: Plenum) p 337 Sahni V 1996 Density Functional Theory (Topics in Current Chemistry vol 182) ed R Nalewajski (Berlin: Springer) p 1
24. Harbola M K and Sahni V 1989 Phys. Rev. Lett. 62 489 See also Sahni V 1995 Nato ASI Series vol B, ed E K U Gross and R M Dreizler (New York: Plenum) p 337 Sahni V 1996 Density Functional Theory (Topics in Current Chemistry vol 182) ed R Nalewajski (Berlin: Springer) p 1
25. Harbola M K and Sahni V 1989 Phys. Rev. Lett. 62 489 See also Sahni V 1995 Nato ASI Series vol B, ed E K U Gross and R M Dreizler (New York: Plenum) p 337 Sahni V 1996 Density Functional Theory (Topics in Current Chemistry vol 182) ed R Nalewajski (Berlin: Springer) p 1
26. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
27. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
28. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
29. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
30. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
31. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
32. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
33. Sen K D 1992 Chem. Phys. Lett. 168 510 Singh R and Deb B M 1994 Proc. Ind. Acad. Sci. 106 1321 Singh R and Deb B M 1996 J. Mol. Struct. Theochem. 361 33 Singh R and Deb B M 1996 J. Chem. Phys. 104 5892 Roy A K, Singh R and Deb B M 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4763 Roy A K, Singh R and Deb BM 1997 Int. J. Quantum Chem. 65 317 Roy A K and Deb B M 1997 Phys. Lett. A 234 465 Singh R and Deb B M Phys. Rep. 311 47 1999
34. Sen K D and Harbola M 1991 Chem. Phys. Lett. 178 347 Sen K D 1991 Phys. Rev. A 44 756
35. Sen K D and Harbola M 1991 Chem. Phys. Lett. 178 347 Sen K D 1991 Phys. Rev. A 44 756
36. Levy M and Nagy Á 1999 Phys. Rev. Lett. 83 4361