Force -∂Vxc/∂r associated with the exchange-correlation potential Vxc(r) in the neutral Ne atom

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 38, Issue 11, 2005, Pages 1705-1717

  Howard, I A ^a   Sen, K D ^b   Geerlings, P ^c   March, N H ^a,d  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b UNIVERSITY OF HYDERABAD   (India)

^c VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^d UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTROSTATICS; FUNCTIONS; GROUND STATE; KINETIC ENERGY; MOLECULAR PHYSICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

EXCHANGE-CORRELATION POTENTIAL; GROUND STATE DENSITY; KINETIC ENERGY DENSITY; RADIAL WAVEFUNCTIONS;

NEON;

EID: 19944410176     PISSN: 09534075     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-4075/38/11/012     Document Type: Article

References (16)

1. Martin R M 2004 Electronic Structure: Basic Theory and Practical Methods (Cambridge: Cambridge University Press)
2. See, for example Parr R G and Yang W 1989 Density Functional Theory of Atoms and Molecules (New York: Oxford University Press)
3. Holas A and March N H 1995 Phys. Rev. A 51 2040
4. March N H 2002 Phys. Rev. A 65 034501
5. March N H, Geerlings P and Sen K D 2004 Phys. Lett. A 324 42
6. Howard I A, March N H, Nagy Á and Van Doren V E 2002 Phys. Chem. Liq. 40 47
7. Howard I A, March N H, Senet P and Van Doren V E 2000 Phys. Rev. A 62 062512
8. Dawson K A and March N H 1984 J. Chem. Phys. 81 5850
9. Nagy Á and March N H 1989 Phys. Rev. A 40 554
10. March N H and Young W H 1959 Nucl. Phys. 12 237
11. Von Weizsäcker C F 1935 Z. Phys. 96 431
12. Umrigar C J 2004 Private communication to K D Sen
13. Zhao Q, Morrison R C and Parr R G 1994 Phys. Rev. A 50 2138
14. Filippi C, Gonze X and Umrigar C J 1996 Recent Developments and Applications of Modern Density Functional Theory vol 4 ed J M Seminario (Amsterdam: Elsevier)
15. Thomer G 1937 Phys. Zeit. 38 48
16. See also the summary in appendix A4.10 by March N H and Mucci J F 1993 Chemical Physics of Free Molecules (New York: Plenum) p 318