메뉴 건너뛰기




Volumn 18, Issue 3, 1996, Pages 193-212

Numerical integration of equations of motion with a self-consistent field given by an implicit equation

Author keywords

Molecular dynamics; Predictor corrector; Self consistent field

Indexed keywords


EID: 0004675416     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029608024123     Document Type: Article
Times cited : (11)

References (16)
  • 1
    • 49349136633 scopus 로고
    • N-particle dynamics of polarizable Stockmayer-type molecules
    • Vesely, F. J. (1977) "N-particle dynamics of polarizable Stockmayer-type molecules", J. Comput. Phys., 24, 361.
    • (1977) J. Comput. Phys. , vol.24 , pp. 361
    • Vesely, F.J.1
  • 2
    • 0002200398 scopus 로고
    • Static dielectric properties of polarizable Stockmayer fluid
    • Pollock, E. L., Alder, B. J. and Patey, G. N. (1981) "Static dielectric properties of polarizable Stockmayer fluid", Physica, 108A, 14.
    • (1981) Physica , vol.108 A , pp. 14
    • Pollock, E.L.1    Alder, B.J.2    Patey, G.N.3
  • 3
    • 0023598484 scopus 로고
    • Calculations of electrostatic properties in proteins. Analysis of contributions from induced protein dipoles
    • Van Belle, D., Couplet, I., Prevost, M. and Wodak, S. J. (1987) "Calculations of electrostatic properties in proteins. Analysis of contributions from induced protein dipoles", J. Mol. Biol., 198, 721.
    • (1987) J. Mol. Biol. , vol.198 , pp. 721
    • Van Belle, D.1    Couplet, I.2    Prevost, M.3    Wodak, S.J.4
  • 6
    • 0000644658 scopus 로고
    • Computer simulation of polarizable fluids: A consistent and fast way for dealing with polarizability and hyperpolarizability
    • Ruocco, G. and Sampoli, M. (1994) "Computer simulation of polarizable fluids: a consistent and fast way for dealing with polarizability and hyperpolarizability", Mol. Phys., 82, 875.
    • (1994) Mol. Phys. , vol.82 , pp. 875
    • Ruocco, G.1    Sampoli, M.2
  • 7
    • 36549102663 scopus 로고
    • A polarizable model for water using distributed charge sites
    • Sprik, M. and Klein, M. L. (1988) "A polarizable model for water using distributed charge sites", J. Chem. Phys., 89, 7556.
    • (1988) J. Chem. Phys. , vol.89 , pp. 7556
    • Sprik, M.1    Klein, M.L.2
  • 8
    • 0000218559 scopus 로고
    • Computer simulation of the dynamics of induced polarization fluctuations in water
    • Sprik, M. (1991) "Computer simulation of the dynamics of induced polarization fluctuations in water", J. Phys. Chem., 95, 2283.
    • (1991) J. Phys. Chem. , vol.95 , pp. 2283
    • Sprik, M.1
  • 12
    • 0000075931 scopus 로고
    • Monte Carlo simulation of liquid acetone with a polarizable molecular model
    • Jedlovszky, P. and Pálinkás, G. (1995) "Monte Carlo simulation of liquid acetone with a polarizable molecular model", Mol. Phys., 84, 217.
    • (1995) Mol. Phys. , vol.84 , pp. 217
    • Jedlovszky, P.1    Pálinkás, G.2
  • 15
    • 0001569292 scopus 로고
    • Cutoff errors in the Ewald summation formulae for point charge systems
    • Kolafa, J. and Perram, J. W. (1992) "Cutoff errors in the Ewald summation formulae for point charge systems", Molec. Simul., 9, 351.
    • (1992) Molec. Simul. , vol.9 , pp. 351
    • Kolafa, J.1    Perram, J.W.2
  • 16
    • 0000732199 scopus 로고
    • Hamilton's equations for constrained dynamical systems
    • de Leeuw, S. W., Perram, J. W. and Petersen, H. G. (1990) "Hamilton's equations for constrained dynamical systems", J. Stat. Phys., 61, 1203.
    • (1990) J. Stat. Phys. , vol.61 , pp. 1203
    • De Leeuw, S.W.1    Perram, J.W.2    Petersen, H.G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.