On the optimal symmetric purification scheme of the one-particle density matrix

Chemical Physics Letters

Volumn 511, Issue 1-3, 2011, Pages 159-160

  Kim, Jaehoon ^a   Jung, Yousung ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY MATRIX; DENSITY MATRIX PURIFICATION; DIAGONALIZATIONS; MATHEMATICAL PROOF; MATRIX MULTIPLICATION; OPTIMAL SCHEME; REPEATED APPLICATION; SELF-CONSISTENT FIELD CALCULATIONS;

OPTIMIZATION; POLYNOMIALS; PURIFICATION; QUANTUM THEORY;

MATRIX ALGEBRA;

EID: 79960242095     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.05.058     Document Type: Article

References (9)

1. X.P. Li, R. Nunes, and D. Vanderbilt Phys. Rev. B 47 1993 10891
2. S. Goedecker, and M. Teter Phys. Rev. B 51 1995 9455
3. W. Liang, C. Saravanan, Y. Shao, R. Baer, A.T. Bell, and M. Head-Gordon J. Chem. Phys. 119 2003 4117
4. R. McWeeny Rev. Mod. Phys. 32 1960 335
5. A. Palser, and D. Manolopoulos Phys. Rev. B 58 1998 12704
6. E.S. Kryachko Chem. Phys. Lett. 318 2000 210
7. A. Holas Chem. Phys. Lett. 340 2001 552
8. A. Niklasson Phys. Rev. B 66 2002 1
9. D. Mazziotti Phys. Rev. E 68 2003 1