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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
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Efficient implementation of the Hellmann-Feynman theorem in a diffusion Monte Carlo calculation.

S A Vitiello1

  • 1Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas-UNICAMP 13083-859, Campinas, SP, Brazil. vitiello@ifi.unicamp.br

The Journal of Chemical Physics
|February 10, 2011
PubMed
Summary

This study computes energies for helium-4 atoms in solid and liquid phases using diffusion Monte Carlo. The advanced multiweight method efficiently applies the Hellmann-Feynman theorem for accurate results.

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