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  • 2019

    OpenMolcas: From Source Code to Insight

    Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., Chibotaru, L. F., Creutzberg, J., Dattani, N., Delcey, M. G., Dong, S. S., Dreuw, A., Freitag, L., Frutos, L. M., Gagliardi, L. & Gendron, F. & 43 others, Giussani, A., González, L., Grell, G., Guo, M., Hoyer, C. E., Johansson, M., Keller, S., Knecht, S., Kovačević, G., Källman, E., Li Manni, G., Lundberg, M., Ma, Y., Mai, S., Malhado, J. P., Malmqvist, P. Å., Marquetand, P., Mewes, S. A., Norell, J., Olivucci, M., Oppel, M., Phung, Q. M., Pierloot, K., Plasser, F., Reiher, M., Sand, A. M., Schapiro, I., Sharma, P., Stein, C. J., Sørensen, L. K., Truhlar, D. G., Ugandi, M., Ungur, L., Valentini, A., Vancoillie, S., Veryazov, V., Weser, O., Wesołowski, T. A., Widmark, P. O., Wouters, S., Zech, A., Zobel, J. P. & Lindh, R., 12 Nov 2019, In: Journal of Chemical Theory and Computation. 15, 11, p. 5925-5964 40 p.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
    676 Scopus citations
  • 2017

    Vibrational Density Matrix Renormalization Group

    Baiardi, A., Stein, C. J., Barone, V. & Reiher, M., 8 Aug 2017, In: Journal of Chemical Theory and Computation. 13, 8, p. 3764-3777 14 p.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
    47 Scopus citations