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Efficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to

Kimichi Suzuki1, Masanori Tachikawa, Motoyuki Shiga

  • 1Quantum Chemistry Division, Graduate School of Science, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027, Japan.

The Journal of Chemical Physics
|April 22, 2010
PubMed

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