So Hirata

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So Hirata

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  • 2019

    Converging finite-temperature many-body perturbation theory in the grand canonical ensemble that conserves the average number of electrons

    Hirata, S. & Jha, P. K., 2019, Annual Reports in Computational Chemistry. Dixon, D. A. (ed.). Elsevier Ltd, p. 17-37 21 p. (Annual Reports in Computational Chemistry; vol. 15).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

    Open Access

  • Numerical evidence invalidating finite-temperature many-body perturbation theory

    Jha, P. K. & Hirata, S., 2019, Annual Reports in Computational Chemistry. Dixon, D. A. (ed.). Elsevier Ltd, p. 3-15 13 p. (Annual Reports in Computational Chemistry; vol. 15).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

    Open Access
  • 2017

    Ab Initio Ice, Dry Ice, and Liquid Water

    Hirata, S., Gilliard, K., He, X., Keçeli, M., Li, J., Salim, M. A., Sode, O. & Yagi, K., Jun 21 2017, Fragmentation: Toward Accurate Calculations on Complex Molecular Systems. Wiley, p. 245-296 52 p.

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

  • 2010

    Eclectic Electron-Correlation Methods

    Hirata, S., Shiozaki, T., Valeev, E. F. & Nooijen, M., 2010, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 191-217 27 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 11).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

  • 2009

    Chapter 6 Explicitly Correlated Coupled-Cluster Methods

    Shiozaki, T., Valeev, E. F. & Hirata, S., 2009, Annual Reports in Computational Chemistry. Wheeler, R. (ed.). p. 131-148 18 p. (Annual Reports in Computational Chemistry; vol. 5).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

  • 2008

    Single-Reference Methods for Excited States in Molecules and Polymers

    Hirata, S., Fan, P. D., Shiozaki, T. & Shigeta, Y., 2008, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 15-64 50 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 5).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

  • 2003

    NWChem: New functionality

    Windus, T. L., Bylaska, E. J., Dupuis, M., Hirata, S., Pollack, L., Smith, D. M., Straatsma, T. P. & Aprà, E., 2003, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Sloot, P. M. A., Abramson, D., Bogdanov, A. V., Gorbachev, Y. E., Dongarra, J. J. & Zomaya, A. Y. (eds.). Springer, p. 168-177 10 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 2660).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

    Open Access

  • UTChem - A program for ab initio quantum chemistry

    Yanai, T., Nakano, H., Nakajima, T., Tsuneda, T., Hirata, S., Kawashima, Y., Nakao, Y., Kamiya, M., Sekino, H. & Hirao, K., 2003, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Sloot, P. M. A., Abramson, D., Bogdanov, A. V., Gorbachev, Y. E., Dongarra, J. J. & Zomaya, A. Y. (eds.). Springer, p. 84-95 12 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 2660).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter

    Open Access