19952019
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Research Output 1995 2019

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Review article
2017

Perspective: Explicitly correlated electronic structure theory for complex systems

Grüneis, A., Hirata, S., Ohnishi, Y. Y. & Ten-No, S., Feb 28 2017, In : Journal of Chemical Physics. 146, 8, 080901.

Research output: Contribution to journalReview article

Wave functions
complex systems
Electronic structure
Large scale systems
wave functions
2012

Extensivity of energy and electronic and vibrational structure methods for crystals

Hirata, S., Keçeli, M., Ohnishi, Y. Y., Sode, O. & Yagi, K., May 1 2012, In : Annual Review of Physical Chemistry. 63, p. 131-153 23 p.

Research output: Contribution to journalReview article

theorems
electronic structure
Crystals
Wave functions
electronics
2006

Advances in methods and algorithms in a modern quantum chemistry program package

Shao, Y., Molnar, L. F., Jung, Y., Kussmann, J., Ochsenfeld, C., Brown, S. T., Gilbert, A. T. B., Slipchenko, L. V., Levchenko, S. V., O'Neill, D. P., DiStasio, R. A., Lochan, R. C., Wang, T., Beran, G. J. O., Besley, N. A., Herbert, J. M., Yeh Lin, C., Van Voorhis, T., Hung Chien, S., Sodt, A. & 48 others, Steele, R. P., Rassolov, V. A., Maslen, P. E., Korambath, P. P., Adamson, R. D., Austin, B., Baker, J., Byrd, E. F. C., Dachsel, H., Doerksen, R. J., Dreuw, A., Dunietz, B. D., Dutoi, A. D., Furlani, T. R., Gwaltney, S. R., Heyden, A., Hirata, S., Hsu, C. P., Kedziora, G., Khalliulin, R. Z., Klunzinger, P., Lee, A. M., Lee, M. S., Liang, W., Lotan, I., Nair, N., Peters, B., Proynov, E. I., Pieniazek, P. A., Min Rhee, Y., Ritchie, J., Rosta, E., David Sherrill, C., Simmonett, A. C., Subotnik, J. E., Lee Woodcock, H., Zhang, W., Bell, A. T., Chakraborty, A. K., Chipman, D. M., Keil, F. J., Warshel, A., Hehre, W. J., Schaefer, H. F., Kong, J., Krylov, A. I., Gill, P. M. W. & Head-Gordon, M., Aug 2 2006, In : Physical Chemistry Chemical Physics. 8, 27, p. 3172-3191 20 p.

Research output: Contribution to journalReview article

Quantum chemistry
quantum chemistry
Potential energy surfaces
Chemical shift
Wave functions