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Volumn 134, Issue , 2007, Pages 93-101

Chapter 5: The T1 and T2 representability conditions

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EID: 34247350876     PISSN: 00652385     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article
Times cited : (19)

References (20)
  • 1
    • 36149015994 scopus 로고
    • Structure of fermion density matrices
    • A.J. Coleman, Structure of fermion density matrices. Rev. Mod. Phys. 35, 668 (1963).
    • (1963) Rev. Mod. Phys , vol.35 , pp. 668
    • Coleman, A.J.1
  • 2
    • 0000647855 scopus 로고
    • Reduction of the N-particle variational problem
    • C. Garrod and J. K. Percus, Reduction of the N-particle variational problem. J. Math. Phys. 5, 1756 (1964).
    • (1964) J. Math. Phys , vol.5 , pp. 1756
    • Garrod, C.1    Percus, J.K.2
  • 3
    • 0242295588 scopus 로고    scopus 로고
    • Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles
    • D. A. Mazziotti and R. M. Erdahl, Uncertainty relations and reduced density matrices: mapping many-body quantum mechanics onto four particles. Phys. Rev. A 63, 042113 (2001).
    • (2001) Phys. Rev. A , vol.63 , pp. 042113
    • Mazziotti, D.A.1    Erdahl, R.M.2
  • 5
    • 1442282174 scopus 로고    scopus 로고
    • The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions
    • Z. Zhao, B. J. Braams, M. Fukuda, M. L. Overton, and J. K. Percus, The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions. J. Chem. Phys. 120, 2095-2104 (2004).
    • (2004) J. Chem. Phys , vol.120 , pp. 2095-2104
    • Zhao, Z.1    Braams, B.J.2    Fukuda, M.3    Overton, M.L.4    Percus, J.K.5
  • 6
    • 26944502647 scopus 로고    scopus 로고
    • Variational two-electron reduced-density-matrix theory: Partial 3-positivity conditions for N-representability
    • J. R. Hammond and D. A. Mazziotti, Variational two-electron reduced-density-matrix theory: partial 3-positivity conditions for N-representability. Phys. Rev. A 71, 062503 (2005).
    • (2005) Phys. Rev. A , vol.71 , pp. 062503
    • Hammond, J.R.1    Mazziotti, D.A.2
  • 7
    • 28844460348 scopus 로고    scopus 로고
    • 2 condition through first-order semidefinite programming
    • 2 condition through first-order semidefinite programming. Phys. Rev. A 72, 032510 (2005).
    • (2005) Phys. Rev. A , vol.72 , pp. 032510
    • Mazziotti, D.A.1
  • 9
    • 0000648034 scopus 로고    scopus 로고
    • F. Weinhold and E. Bright Wilson, Jr., Reduced density matrices of atoms and molecules. II. On the N-representability problem. J. Chem. Phys. 47, 2298 (1967).
    • F. Weinhold and E. Bright Wilson, Jr., Reduced density matrices of atoms and molecules. II. On the N-representability problem. J. Chem. Phys. 47, 2298 (1967).
  • 10
    • 0001428632 scopus 로고
    • Linear inequalities for density matrices II
    • W. B. McRae and E. R. Davidson, Linear inequalities for density matrices II. J. Math. Phys. 13, 1527 (1972).
    • (1972) J. Math. Phys , vol.13 , pp. 1527
    • McRae, W.B.1    Davidson, E.R.2
  • 11
    • 0000222913 scopus 로고
    • Electron correlation
    • J. E. Mayer, Electron correlation. Phys. Rev. 100, 1579 (1955).
    • (1955) Phys. Rev , vol.100 , pp. 1579
    • Mayer, J.E.1
  • 13
    • 1442347512 scopus 로고
    • The variational calculation of reduced density matrices
    • M. Rosina and C. Garrod, The variational calculation of reduced density matrices. J. Comput. Phys. 18, 300 (1975).
    • (1975) J. Comput. Phys , vol.18 , pp. 300
    • Rosina, M.1    Garrod, C.2
  • 14
    • 0036536638 scopus 로고    scopus 로고
    • Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems
    • M. Nakata, M. Ehara, and H. Nakatsuji, Density matrix variational theory: application to the potential energy surfaces and strongly correlated systems. J. Chem. Phys. 116, 5432 (2002).
    • (2002) J. Chem. Phys , vol.116 , pp. 5432
    • Nakata, M.1    Ehara, M.2    Nakatsuji, H.3
  • 15
    • 33846681496 scopus 로고    scopus 로고
    • Density matrix variational theory: Strength of Weinhold-Wilson inequalities
    • Erkki J. Brändas and Eugene S. Kryachko, eds, Kluwer Academic, Norwell, MA
    • M. Nakata, M. Ehara, and H. Nakatsuji, Density matrix variational theory: strength of Weinhold-Wilson inequalities, in Fundamental World of Quantum Chemistry, Vol. I, (Erkki J. Brändas and Eugene S. Kryachko, eds.), Kluwer Academic, Norwell, MA, 2003.
    • (2003) Fundamental World of Quantum Chemistry , vol.1
    • Nakata, M.1    Ehara, M.2    Nakatsuji, H.3
  • 17
    • 0005314510 scopus 로고
    • On linear characterizations of combinatorial optimization problems
    • R. M. Karp and C. H. Papadimitriou, On linear characterizations of combinatorial optimization problems. SIAM J. Comput. 11, 620 (1982).
    • (1982) SIAM J. Comput , vol.11 , pp. 620
    • Karp, R.M.1    Papadimitriou, C.H.2
  • 18
    • 0035872736 scopus 로고    scopus 로고
    • Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm
    • M. Nakata, H. Nakatsuji, M. Ehara, M. Fukuda, K. Nakata, and K. Fujisawa, Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm. J Chem. Phys. 114, 8282 (2001).
    • (2001) J Chem. Phys , vol.114 , pp. 8282
    • Nakata, M.1    Nakatsuji, H.2    Ehara, M.3    Fukuda, M.4    Nakata, K.5    Fujisawa, K.6
  • 19
    • 34247350363 scopus 로고    scopus 로고
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian 98, Revision A.9, Gaussian, Inc, Pittsburgh, PA, 1998
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian 98, Revision A.9, Gaussian, Inc., Pittsburgh, PA, 1998.
  • 20
    • 34247387944 scopus 로고    scopus 로고
    • http://www.emsl.pnl.gov/proj/crdb/.


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