Per-Olof Widmark

Research Engineer
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  1. 2020
  2. The ANO-R Basis Set

    Zobel, J. P., Per Olof Widmark & Valera Veryazov, 2020 Jan 14, In : Journal of Chemical Theory and Computation. 16, 1, p. 278-294 17 p.

    Research output: Contribution to journalArticle

  3. 2019
  4. 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., Per Åke Malmqvist, 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., Valera Veryazov, Weser, O., Wesołowski, T. A., Per Olof Widmark, Wouters, S., Zech, A., Zobel, J. P. & Lindh, R., 2019 Jan 1, In : Journal of Chemical Theory and Computation. 15, 11, p. 5925-5964

    Research output: Contribution to journalReview article

  5. 2018
  6. New compact density matrix averaged ANO basis sets for relativistic calculations

    Per Olof Widmark, Zobel, J. P., Vysotskiy, V. P., Tsuchiya, T. & Valera Veryazov, 2018, In : Journal of Chemical Physics. 149, 19, 194102.

    Research output: Contribution to journalArticle

  7. Uncontracted basis sets for ab initio calculations of muonic atoms and molecules

    Ugandi, M., Fdez. Galván, I., Per Olof Widmark & Lindh, R., 2018, In : International Journal of Quantum Chemistry. 118, 21, e25755.

    Research output: Contribution to journalArticle

  8. 2016
  9. Multiconfigurational Quantum Chemistry

    Roos, B. O., Lindh, R., Perske Malmqvist, Valera Veryazov & Per Olof Widmark, 2016 Aug 15, Wiley-Blackwell Publishing Ltd. 224 p.

    Research output: Book/ReportBook

  10. 2010
  11. Basis set representation of the electron density at an atomic nucleus

    Mastalerz, R., Per-Olof Widmark, Roos, B., Lindh, R. & Reiher, M., 2010, In : Journal of Chemical Physics. 133, 14, 144111.

    Research output: Contribution to journalArticle

  12. 2008
  13. 2006
  14. A quantum chemical study of the quintuple bond between two chromium centers in [PhCrCrPh]: trans-bent versus linear geometry

    Brynda, M., Gagliardi, L., Per-Olof Widmark, Power, PP. & Roos, B., 2006, In : Angewandte Chemie (International edition). 45, 23, p. 3804-3807

    Research output: Contribution to journalArticle

  15. 2005
  16. New relativistic ANO basis sets for actinide atoms

    Roos, B., Lindh, R., Per-Åke Malmqvist, Valera Veryazov & Per-Olof Widmark, 2005, In : Chemical Physics Letters. 409, 4-6, p. 295-299

    Research output: Contribution to journalArticle

  17. 2004
  18. 2MOLCAS as a development platform for quantum chemistry software

    Valera Veryazov, Per-Olof Widmark, Serrano-Andres, L., Lindh, R. & Roos, B., 2004, In : International Journal of Quantum Chemistry. 100, 4, p. 626-635

    Research output: Contribution to journalArticle

  19. 2003
  20. Molcas: a program package for computational chemistry.

    Gunnar Karlström, Lindh, R., Per-Åke Malmqvist, Roos, B., Ulf Ryde, Valera Veryazov, Per-Olof Widmark, Cossi, M., Schimmelpfennig, B., Neogrady, P. & Seijo, L., 2003, In : Computational Materials Science. 28, 2, p. 222-239

    Research output: Contribution to journalArticle

  21. Molcas programmer’s guide

    Krogh, J. W., Lindh, R., Per-Åke Malmqvist, Roos, B., Valera Veryazov & Per-Olof Widmark, 2003, [Publisher information missing].

    Research output: Book/ReportReport

  22. The ground state and electronic spectrum of CUO - a mystery.

    Roos, B., Per-Olof Widmark & Gagliardi, L., 2003, In : Faraday Discussions. 124, p. 57-62

    Research output: Contribution to journalArticle

  23. 2002
  24. The ammonia dimer equilibrium dissociation energy: convergence to the basis set limit at the correlated level

    Stalring, L., Schutz, M., Lindh, R., Gunnar Karlström & Per-Olof Widmark, 2002, In : Molecular Physics. 100, 21, p. 3389-3399

    Research output: Contribution to journalArticle

  25. Theoretical study of the unusual potential energy curve of the A (1)Sigma(+) state of AgH

    Witek, HA., Fedorov, DG., Hirao, K., Viel, A. & Per-Olof Widmark, 2002, In : Journal of Chemical Physics. 116, 19, p. 8396-8406

    Research output: Contribution to journalArticle

  26. 1994