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Fragmentation Method Combined with Quantum Monte Carlo Calculations

Published:2007-06-15 Issue:6 Volume:76 Page:064301
ISSN:0031-9015
Container-title:Journal of the Physical Society of Japan
language:en
Short-container-title:J. Phys. Soc. Jpn.

Author:

Maezono Ryo¹²,Watanabe Hirofumi³⁴,Tanaka Shigenori³⁴,D. Towler M.⁵,J. Needs R.⁵

Affiliation:

1. National Institute for Materials Science, Computational Materials Science Center, Tsukuba, Ibaraki 305-0047

2. PREST, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012

3. Graduate School of Science and Technology, Kobe University, Kobe 657-8501

4. CREST, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012

5. TCM Group, Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE, U.K.

Publisher

Japan Society of Applied Physics

Subject

General Physics and Astronomy

Link

https://journals.jps.jp/doi/pdf/10.1143/JPSJ.76.064301

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1. Development of a combined quantum monte carlo-effective fragment molecular orbital method;Molecular Physics;2019-02-20

2. The fragment molecular orbital method: theoretical development, implementation in GAMESS , and applications;WIREs Computational Molecular Science;2017-06-20

3. Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems;Phys. Chem. Chem. Phys.;2014

4. GPGPU for orbital function evaluation with a new updating scheme;Journal of Computational Chemistry;2012-09-01

5. Exploring chemistry with the fragment molecular orbital method;Physical Chemistry Chemical Physics;2012

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