Local temperature in an electronic system

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 53, Issue 5, 1996, Pages 3117-3121

  Nagy, Á ^a   Parr, Robert G ^b   Liu, Shubin ^b  

^a UNIVERSITY OF DEBRECEN   (Hungary)

^b The University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001348605     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.53.3117     Document Type: Article

References (24)

1. S. K. Ghosh, M. Berkowitz and R. G. Parr, Proc. Natl. Acad. Sci. 81, 8028 (1984).
2. R. G. Parr, K. Rupnik and S. K. Ghosh, Phys. Rev. Lett. 56, 1555 (1986).
3. S. K. Ghosh and R. G. Parr, Phys. Rev. A 34, 785 (1986).
4. C. Lee and R. G. Parr, Phys. Rev. A 35, 2377 (1987).
5. Á. Nagy and R. G. Parr, Proc. Ind. Acad. Sci. Chem. Sci. 106, 217 (1994).
6. Á. Nagy and R. G. Parr, Int. J. Quantum Chem. (to be published).
7. S. K. Ghosh and L. C. Balbás, J. Chem. Phys. 83, 5778 (1985).
8. P. Politzer, J. S. Murray, M. E. Grice, T. Brinck and S. Ranganathan, J. Chem. Phys. 95, 6699 (1991).
9. J. S. Murray, J. M. Seminario, P. Politzer and P. Sjoberg, Int. J. Quantum Chem. Symp. 24, 645 (1990).
10. P. Politzer, J. S. Murray, and M. E. Grice, in Chemical Hardness, Springer Series in Structure and Bonding Vol. 80 (Springer, Berlin, 1993), p. 102.
11. C. Herring (private communication). For (Formula presented), the midpoint temperature calculated from Eq. (4)is negative when the internuclear distance is two or three times the equilibrium value.
12. G. L. Laming, N. C. Handy and W. H. Miller, J. Phys. Chem. 99, 1880 (1995).
13. M. Berkowitz, Chem. Phys. Lett. 129, 486 (1986).
14. C. O. Almbladh and A. C. Pedroza, Phys. Rev. A 29, 2332 (1984).
15. F. Aryasetiawan and M. J. Stott, Phys. Rev. B 38, 2974 (1988).
16. J. Chen and M. J. Stott, Phys. Rev. A 44, 2816 (1991).
17. Á. Nagy, J. Phys. B 26, 43 (1993)
18. Philos. Mag. B 69, 779 (1994).
19. Q. Zhao and R. G. Parr, J. Chem. Phys. 98, 543 (1993).
20. Á. Nagy and N. H. March, Chem. Phys. 153, 141 (1991).
21. C. F. Bunge, J. A. Barrientos and A. V. Bunge, At. Data Nucl. Data 53, 114 (1993).
22. Q. Zhao, R. C. Morrison and R. G. Parr, Phys. Rev. A 50, 2138 (1994).
23. R. C. Morrison and Q. Zhao, Phys. Rev. A 51, 1980 (1995).
24. W. P. Wang and R. G. Parr, Phys. Rev. A 16, 891 (1977).