메뉴 건너뛰기




Volumn 128, Issue 11, 2008, Pages

Size extensivity of the direct optimized effective potential method

Author keywords

[No Author keywords available]

Indexed keywords

ASYMPTOTIC ANALYSIS; ELECTRONS; ERROR ANALYSIS; FERMI LEVEL; MONOMERS;

EID: 41049106950     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2877129     Document Type: Article
Times cited : (5)

References (47)
  • 1
    • 10644250257 scopus 로고
    • PRVBAK 0096-8269 10.1103/PhysRev.136.B864.
    • P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 2
    • 0042113153 scopus 로고
    • PRVAAH 0096-8250 10.1103/PhysRev.140.A1133.
    • W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 3
    • 41049115354 scopus 로고
    • Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford).
    • R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
    • (1989)
    • Parr, R.G.1    Yang, W.2
  • 4
    • 41049107245 scopus 로고
    • Density Functional Theory (Springer, Berlin).
    • R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer, Berlin, 1990).
    • (1990)
    • Dreizler, R.M.1    Gross, E.K.U.2
  • 6
    • 0000438332 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.476859.
    • Y. Zhang and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476859 109, 2604 (1998).
    • (1998) J. Chem. Phys. , vol.109 , pp. 2604
    • Zhang, Y.1    Yang, W.2
  • 7
    • 33646029966 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/j.cplett.2006.02.025.
    • A. D. Dutoi and M. Head-Gordon, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2006.02.025 422, 230 (2006).
    • (2006) Chem. Phys. Lett. , vol.422 , pp. 230
    • Dutoi, A.D.1    Head-Gordon, M.2
  • 10
    • 0346150047 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1630011.
    • P. Mori-Sánchez, Q. Wu, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1630011 119, 11001 (2003).
    • (2003) J. Chem. Phys. , vol.119 , pp. 11001
    • Mori-Sánchez, P.1    Wu, Q.2    Yang, W.3
  • 11
    • 34249911200 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2743004.
    • S.-H. Ke, H. U. Baranger, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2743004 126, 201102 (2007).
    • (2007) J. Chem. Phys. , vol.126 , pp. 201102
    • Ke, S.-H.1    Baranger, H.U.2    Yang, W.3
  • 12
    • 24144447382 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1904584.
    • P. Mori-Sánchez, Q. Wu, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1904584 123, 062204 (2005).
    • (2005) J. Chem. Phys. , vol.123 , pp. 062204
    • Mori-Sánchez, P.1    Wu, Q.2    Yang, W.3
  • 13
    • 29144512279 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2128674.
    • H. Jiang and E. Engel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2128674 123, 224102 (2005).
    • (2005) J. Chem. Phys. , vol.123 , pp. 224102
    • Jiang, H.1    Engel, E.2
  • 15
    • 33750917588 scopus 로고    scopus 로고
    • IJQCB2 0020-7608 10.1002/qua.21174.
    • E. Engel and H. Jiang, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.21174 15, 3242 (2006).
    • (2006) Int. J. Quantum Chem. , vol.15 , pp. 3242
    • Engel, E.1    Jiang, H.2
  • 16
    • 22944434538 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1844493.
    • A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1844493 122, 064101 (2005).
    • (2005) J. Chem. Phys. , vol.122 , pp. 064101
    • Becke, A.D.1
  • 18
    • 36149005506 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.90.317.
    • R. Sharp and G. K. Horton, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.90.317 90, 317 (1953).
    • (1953) Phys. Rev. , vol.90 , pp. 317
    • Sharp, R.1    Horton, G.K.2
  • 19
    • 0001847092 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.14.36.
    • J. D. Talman and W. F. Shadwick, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.14.36 14, 36 (1976).
    • (1976) Phys. Rev. A , vol.14 , pp. 36
    • Talman, J.D.1    Shadwick, W.F.2
  • 20
    • 0000293938 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.26.4371.
    • V. Sahni, J. Gruenebaum, and J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.4371 26, 4371 (1982).
    • (1982) Phys. Rev. B , vol.26 , pp. 4371
    • Sahni, V.1    Gruenebaum, J.2    Perdew, J.P.3
  • 21
    • 2542472774 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.92.146404.
    • W. Yang, P. W. Ayers, and Q. Wu, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.146404 92, 146404 (2004).
    • (2004) Phys. Rev. Lett. , vol.92 , pp. 146404
    • Yang, W.1    Ayers, P.W.2    Wu, Q.3
  • 22
    • 0000619142 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.83.5455.
    • S. Hirata and R. J. Bartlett, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.5455 83, 5455 (1999).
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 5455
    • Hirata, S.1    Bartlett, R.J.2
  • 23
    • 0000442705 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.83.5459.
    • A. Görling, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 83.5459 83, 5459 (1999).
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 5459
    • Görling, A.1
  • 24
    • 0037201576 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.89.143002.
    • W. Yang and Q. Wu, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 89.143002 89, 143002 (2002).
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 143002
    • Yang, W.1    Wu, Q.2
  • 25
    • 2542465418 scopus 로고    scopus 로고
    • JTCCAC 0219-6336 10.1142/S0219633603000690.
    • Q. Wu and W. Yang, J. Theor. Comput. Chem. JTCCAC 0219-6336 10.1142/S0219633603000690 2, 627 (2003).
    • (2003) J. Theor. Comput. Chem. , vol.2 , pp. 627
    • Wu, Q.1    Yang, W.2
  • 26
    • 26444442418 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1989310.
    • Q. Wu, A. J. Cohen, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1989310 123, 134111 (2005).
    • (2005) J. Chem. Phys. , vol.123 , pp. 134111
    • Wu, Q.1    Cohen, A.J.2    Yang, W.3
  • 28
    • 34547248540 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.98.256401.
    • T. Heaton-Burgess, F. A. Bulat, and W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.256401 98, 256401 (2007).
    • (2007) Phys. Rev. Lett. , vol.98 , pp. 256401
    • Heaton-Burgess, T.1    Bulat, F.A.2    Yang, W.3
  • 31
    • 0000724274 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.31.3231.
    • C. O. Almbladh and U. von Barth, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.3231 31, 3231 (1985).
    • (1985) Phys. Rev. B , vol.31 , pp. 3231
    • Almbladh, C.O.1    Von Barth, U.2
  • 34
    • 0041378197 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1590631.
    • Q. Wu, P. W. Ayers, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1590631 119, 2978 (2003).
    • (2003) J. Chem. Phys. , vol.119 , pp. 2978
    • Wu, Q.1    Ayers, P.W.2    Yang, W.3
  • 35
    • 0036536206 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1453958.
    • F. D. Salaa and A. Görling, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1453958 116, 5374 (2002).
    • (2002) J. Chem. Phys. , vol.116 , pp. 5374
    • Salaa, F.D.1    Görling, A.2
  • 37
    • 0000630930 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.50.2138.
    • Q. Zhao, R. Morrison, and R. Parr, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.50.2138 50, 2138 (1994).
    • (1994) Phys. Rev. A , vol.50 , pp. 2138
    • Zhao, Q.1    Morrison, R.2    Parr, R.3
  • 38
    • 26444585365 scopus 로고    scopus 로고
    • MOPHAM 0026-8976 10.1080/0026897051234267.
    • Q. Wu, A. J. Cohen, and W. Yang, Mol. Phys. MOPHAM 0026-8976 10.1080/0026897051234267 103, 711 (2005).
    • (2005) Mol. Phys. , vol.103 , pp. 711
    • Wu, Q.1    Cohen, A.J.2    Yang, W.3
  • 40
    • 33847240470 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2436876.
    • A. M. Teale, A. J. Cohen, and D. J. Tozer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2436876 126, 074101 (2007).
    • (2007) J. Chem. Phys. , vol.126 , pp. 074101
    • Teale, A.M.1    Cohen, A.J.2    Tozer, D.J.3
  • 41
    • 4243669339 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.49.2421.
    • R. van Leeuwen and E. J. Baerends, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.49.2421 49, 2421 (1994).
    • (1994) Phys. Rev. A , vol.49 , pp. 2421
    • Van Leeuwen, R.1    Baerends, E.J.2
  • 42
    • 4243553426 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.38.3098.
    • A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 44
    • 0037473872 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.90.043004.
    • S. Kümmel and J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.043004 90, 043004 (2003).
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 043004
    • Kümmel, S.1    Perdew, J.P.2
  • 45
    • 41049092027 scopus 로고    scopus 로고
    • High Performance Computational Chemistry Group, NWCHEM, A Computational Chemistry Package for Parallel Computers, Version 4.6, Pacific Northwest National Laboratory, Richland, WA 99352.
    • High Performance Computational Chemistry Group, NWCHEM, A Computational Chemistry Package for Parallel Computers, Version 4.6, Pacific Northwest National Laboratory, Richland, WA 99352, 2004.
    • (2004)
  • 46
    • 33746614482 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.456153.
    • T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning Jr., T.H.1
  • 47
    • 3843146349 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.464303.
    • D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464303 98, 1358 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 1358
    • Woon, D.E.1    Dunning Jr., T.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.