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注意：仅列出部分参考文献，下载原文获取全部文献信息。Fragmentation Methods: A Route to Accurate Calculations on Large Systems
Mark S. Gordon et al.
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Screened Electrostatically Embedded Many-Body Method
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Atomic Charges Derived from Electrostatic Potentials for Molecular and Periodic Systems
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Electrostatic Polarization Makes a Substantial Contribution to the Free Energy of Avidin-Biotin Binding
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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Extending the power of quantum chemistry to large systems with the fragment molecular orbital method
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General and efficient algorithms for obtaining maximally localized Wannier functions
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Adiabatic nuclear and electronic sampling Monte Carlo simulations in the Gibbs ensemble: Application to polarizable force fields for water
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