Efficient Calculation of Electronic Structure Using O(N) Density Functional Theory

DOI Web Site 8 Citations 38 References

Ayako Nakata

First-Principles Simulation Group, Nano-Theory Field, International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
Yasunori Futamura

Department of Computer Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573, Japan
Tetsuya Sakurai

Department of Computer Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573, Japan
David R Bowler

Department of Physics & Astronomy, University College London, Gower Street, London WC1E 6BT, U.K.
Tsuyoshi Miyazaki

First-Principles Simulation Group, Nano-Theory Field, International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan

Journal

Journal of Chemical Theory and Computation

Journal of Chemical Theory and Computation 13 (9), 4146-4153, 2017-08-11

American Chemical Society (ACS)

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