Direct determination of the quantum-mechanical density matrix using the density equation

Physical Review Letters

Volumn 76, Issue 7, 1996, Pages 1039-1042

  Nakatsuji, Hiroshi ^a   Yasuda, Koji ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3242891985     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.76.1039     Document Type: Article

References (22)

1. P. Hohenberg and W. Kohn; Phys. Rev. B 864, 136 (1965)
2. W. Kohn and L. J. Sham; Phys. Rev. A 1133, 140 (1965). PLRAAN
3. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
4. C. Garrod, M. V. Mihailovic, and M. Rosina; J. Math. Phys. 16, 868 (1975). JMAPAQ
5. H. Nakatsuji and R. G. Parr; J. Chem. Phys. 63, 112 (1975)
6. H. Nakatsuji; J. Chem. Phys. 67, 1312 (1977). JCPSA6
7. A. J. Coleman; Rev. Mod. Phys. 35, 668 (1963)
8. C. Garrod and J. Percus; J. Math. Phys. 5, 1756 (1964)
9. H. Kummer; J. Math. Phys. 8, 2063 (1967). JMAPAQ
10. H. Nakatsuji; Phys. Rev. A 14, 41 (1976). PLRAAN
11. S. Cho; Sci. Rep. Gumma Univ. 11, 1 (1962).
12. L. Cohen and C. Frishberg; Phys. Rev. A 13, 927 (1976). PLRAAN
13. E. Davidson, private communication to one of the authors (H. N.) at Tomakomai in 1976
14. J. E. Harriman; Phys. Rev. A 19, 1839 (1979). PLRAAN
15. C. Valdemoro; Phys. Rev. A 45, 4462 (1992)
16. F. Colmenero, C. Perez del Valle, and C. Valdemoro; Phys. Rev. A 47, 971 (1993)
17. F. Colmenero and C. Valdemoro; Phys. Rev. A 47, 979 (1993). PLRAAN
18. F. Colmenero and C. Valdemoro; Int. J. Quant. Chem. 51, 369 (1994). IJQCB2
19. E. Clementi and C. Roetti; Atom Data Nucl. Data Tab. 14, 428 (1974)
20. W. J. Hehre, R. F. Stewart, and J. A. Pople; J. Chem. Phys. 51, 2657 (1969). JCPSA6
21. L. E. Sutton, D. G. Jenkin, and A. D. Mitchell, Tables of Interatomic Distances (The Chemical Society, London, 1958).
22. T. L. Gilbert; Phys. Rev. B 12, 2111 (1975). PRBMDO