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Electrostatic potential of several small molecules from density functional theory

Electrostatic potential of several small molecules from density functional theory
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出处 《原子与分子物理学报》 CAS CSCD 北大核心 2006年第B04期29-33,共5页 Journal of Atomic and Molecular Physics
基金 青海省科技厅资助项目(2002-G-102)
关键词 密度函数理论 静电势能 DFT 交互作用 Density functional theory, electrostatic potential, root-mean-square, electrostatic potential figures
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参考文献16

  • 1Scrocco E, Tomasi J, Adv. Quantum Chem. 1978, 11:115.
  • 2Serocoo E, Tornasi J, in Topics in Current Chemistry,No. 42 (Springer-Verlag, Berlin, 1973), 95.
  • 3Politzer P, Daiker K C. in The Force Concept in Chemistry, B. M. Deb, ed. (Van Nostrand Reinhold, New York, 1981), Chap 6
  • 4Politzer P, Truhlar D G. eds., Chemieal Applications of Atomic and Molecular Electrostatic Potentials (Plenum,New York, 1981)
  • 5Hohenberg P, Kohn W. Phys. Rev. , 1964, B136:864.
  • 6Labanowski J K, Ludena E V. Energy Density Functional Theory of Many-Electron Systems (Kluwer, Dordrecht,The Netherlands, 1990).
  • 7Willis B G, Jensen K F.J. Phys. Chem., 1998,A102:2613.
  • 8Becke A D. Phys. Rev., 1998,A38:3098.
  • 9Slater J. The Self-consistent Field for Molecules and Solids: Quantum Theory of Molecules and Solids, Vol. 4,New York: McCraw-Hill, 1974.
  • 10Vosko S H, Wilk L, Nusair M. Can. J. Phys., 1980,58: 1200.

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