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Molecular systems

 

Molecular systems

Marco D'Alessandro  -

 

Computation of the dynamical polarizability in molecular systems. Analysis of the condition of computational convergence using the wavelet basis. Comparison of the linear response regime with finite difference method for the statical limit.

 

CASE STUDIES

  • Marco D'Alessandro and Luigi Genovese
    Locality and computational reliability of linear response calculations for molecular systems
    Phys. Rev. Materials 3, 023805, 2019

 
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