메뉴 건너뛰기




Volumn 5, Issue 4, 2003, Pages 14-21

Linear scaling electronic structure methods in chemistry and physics

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SOFTWARE; QUANTUM THEORY; WAVEFORM ANALYSIS;

EID: 0038450200     PISSN: 15219615     EISSN: None     Source Type: Journal    
DOI: 10.1109/MCISE.2003.1208637     Document Type: Article
Times cited : (93)

References (16)
  • 1
    • 0033246389 scopus 로고    scopus 로고
    • Linear scaling electronic structure methods
    • S. Goedecker, "Linear Scaling Electronic Structure Methods," Reviews of Modern Physics, vol. 71, no. 4, 1999, pp. 1085-1123.
    • (1999) Reviews of Modern Physics , vol.71 , Issue.4 , pp. 1085-1123
    • Goedecker, S.1
  • 2
    • 4944230439 scopus 로고    scopus 로고
    • special volume on computational chemistry, P.G. Ciarlet and C. Le Bris, eds., North-Holland
    • S. Goedecker, Handbook of Numerical Analysis, special volume on computational chemistry, P.G. Ciarlet and C. Le Bris, eds., North-Holland, 2003.
    • (2003) Handbook of Numerical Analysis
    • Goedecker, S.1
  • 3
    • 0000089238 scopus 로고    scopus 로고
    • Linear scaling density functional calculations with Gaussian orbitals
    • G.E. Scuseria, "Linear Scaling Density Functional Calculations with Gaussian Orbitals," J. Physical Chemistry A, vol. 103, no. 25, 1999, pp. 4782-4790.
    • (1999) J. Physical Chemistry A , vol.103 , Issue.25 , pp. 4782-4790
    • Scuseria, G.E.1
  • 4
    • 0001102705 scopus 로고    scopus 로고
    • Order-N tight-binding methods for electronic-structure and molecular dynamics
    • P. Ordejon, "Order-N Tight-Binding Methods for Electronic-Structure and Molecular Dynamics," Computational Materials Science, vol. 12, no. 3, 1998, pp. 157-191.
    • (1998) Computational Materials Science , vol.12 , Issue.3 , pp. 157-191
    • Ordejon, P.1
  • 5
    • 36449006535 scopus 로고
    • Derivation and efficient implementation of the fast multipole method
    • C.A. White and M. Head-Gordon, "Derivation and Efficient Implementation of the Fast Multipole Method," J. Chemical Physics, vol. 101, no. 8, 1994, pp. 6593-6605.
    • (1994) J. Chemical Physics , vol.101 , Issue.8 , pp. 6593-6605
    • White, C.A.1    Head-Gordon, M.2
  • 6
    • 0002934876 scopus 로고    scopus 로고
    • Achieving linear scaling for the electronic quantum coulomb problem
    • M.C. Strain, G.E. Scuseria and M.J. Frisch, "Achieving Linear Scaling for the Electronic Quantum Coulomb Problem," Science, vol. 271, no. 1, 1996, pp. 51-53.
    • (1996) Science , vol.271 , Issue.1 , pp. 51-53
    • Strain, M.C.1    Scuseria, G.E.2    Frisch, M.J.3
  • 7
    • 0032020584 scopus 로고    scopus 로고
    • Linear scaling solution of the coulomb problem using wavelets
    • S. Goedecker and O. Ivanov, "Linear Scaling Solution of the Coulomb Problem Using Wavelets," Solid State Comm., vol. 105, no. 11, 1998, pp. 665-669.
    • (1998) Solid State Comm. , vol.105 , Issue.11 , pp. 665-669
    • Goedecker, S.1    Ivanov, O.2
  • 8
    • 0028021598 scopus 로고
    • Fast algorithms for classical physics
    • L Greengard, "Fast Algorithms for Classical Physics," Science, vol. 265, 1994, pp. 909-914.
    • (1994) Science , vol.265 , pp. 909-914
    • Greengard, L.1
  • 9
    • 4243690324 scopus 로고    scopus 로고
    • Maximally localized generalized wannier functions for composite energy bands
    • N. Marzari and D. Vanderbilt, "Maximally Localized Generalized Wannier Functions for Composite Energy Bands," Physics Rev. B, vol. 56, no. 20, 1997, pp. 12847-12865.
    • (1997) Physics Rev. B , vol.56 , Issue.20 , pp. 12847-12865
    • Marzari, N.1    Vanderbilt, D.2
  • 10
    • 0001222111 scopus 로고    scopus 로고
    • A linear scaling method for Hartree-Fock exchange calculations of large molecules
    • J.C. Burant, G.E. Scuseria, and M.J. Frisch, "A Linear Scaling Method for Hartree-Fock Exchange Calculations of Large Molecules," J. Chemical Physics, vol. 105, no. 19, 1996, pp. 8969-8972.
    • (1996) J. Chemical Physics , vol.105 , Issue.19 , pp. 8969-8972
    • Burant, J.C.1    Scuseria, G.E.2    Frisch, M.J.3
  • 11
    • 0001701339 scopus 로고
    • Localizability of dynamic electron correlation
    • P. Pulay, "Localizability of Dynamic Electron Correlation," Chemical Physics Letters, vol. 100, no. 2, 1983, pp. 151-154.
    • (1983) Chemical Physics Letters , vol.100 , Issue.2 , pp. 151-154
    • Pulay, P.1
  • 12
    • 0346498124 scopus 로고    scopus 로고
    • Low-order scaling local electron correlation methods. I. Linear scaling local MP2
    • M. Schütz, C. Hetzer, and H.-J. Werner, "Low-Order Scaling Local Electron Correlation Methods. I. Linear Scaling Local MP2," J. Chemical Physics, vol. 111, no. 13, 1999, pp. 5691-5705.
    • (1999) J. Chemical Physics , vol.111 , Issue.13 , pp. 5691-5705
    • Schütz, M.1    Hetzer, C.2    Werner, H.-J.3
  • 13
    • 0000216571 scopus 로고    scopus 로고
    • Closely approximating second-order Møller-Plesset perturbation theory with a local triatomics in molecules model
    • M.S. Lee, P.E. Maslen, and M. Head-Gordon, "Closely Approximating Second-Order Møller-Plesset Perturbation Theory with a Local Triatomics in Molecules Model," J. Chemical Physics, vol. 112, no. 8, 2000, pp. 3592-3601.
    • (2000) J. Chemical Physics , vol.112 , Issue.8 , pp. 3592-3601
    • Lee, M.S.1    Maslen, P.E.2    Head-Gordon, M.3
  • 14
    • 0001443309 scopus 로고    scopus 로고
    • Linear scaling coupled cluster and perturbation theories in the atomic orbital basis
    • G.E. Scuseria and P.Y. Ayala, "Linear Scaling Coupled Cluster and Perturbation Theories In the Atomic Orbital Basis," J. Chemical Physics, vol. 111, no. 18, 1999, pp. 8330-8343.
    • (1999) J. Chemical Physics , vol.111 , Issue.18 , pp. 8330-8343
    • Scuseria, G.E.1    Ayala, P.Y.2
  • 15
    • 0000277432 scopus 로고    scopus 로고
    • Linear scaling second-order Møller-Plesset theory in the atomic orbital basis for large molecular systems
    • P.Y. Ayala and G.E. Scuseria, "Linear Scaling Second-Order Møller-Plesset Theory in the Atomic Orbital Basis for Large Molecular Systems," J. Chemical Physics, vol. 110, no. 8, 1999, pp. 3660-3671.
    • (1999) J. Chemical Physics , vol.110 , Issue.8 , pp. 3660-3671
    • Ayala, P.Y.1    Scuseria, G.E.2
  • 16
    • 0035581275 scopus 로고    scopus 로고
    • Atomic orbital Laplace-transformed second-order Møller-Plesset theory for periodic systems
    • P.Y. Ayala, K.N. Kudin, and G.E. Scuseria, "Atomic Orbital Laplace-Transformed Second-Order Møller-Plesset Theory for Periodic Systems," J. Chemical Physics, vol. 115, no. 21, 2001, pp. 9698-9707.
    • (2001) J. Chemical Physics , vol.115 , Issue.21 , pp. 9698-9707
    • Ayala, P.Y.1    Kudin, K.N.2    Scuseria, G.E.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.