Per-Olof Widmark

Research Engineer
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  1. 2021
  2. 2020
  3. The ANO-R Basis Set

    J. Patrick Zobel, 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

  4. 2019
  5. OpenMolcas: From Source Code to Insight

    Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J. Bao, Sergey I. Bokarev, Nikolay A. Bogdanov, Rebecca K. Carlson, Liviu F. Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G. Delcey, Sijia S. Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Laura Gagliardi, Frédéric Gendron & 43 others, Angelo Giussani, Leticia González, Gilbert Grell, Meiyuan Guo, Chad E. Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Åke Malmqvist, Philipp Marquetand, Stefanie A. Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristine Pierloot, Felix Plasser, Markus Reiher, Andrew M. Sand, Igor Schapiro, Prachi Sharma, Christopher J. Stein, Lasse Kragh Sørensen, Donald G. Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz A. Wesołowski, Per Olof Widmark, Sebastian Wouters, Alexander Zech, J. Patrick Zobel & Roland Lindh, 2019 Jan 1, In: Journal of Chemical Theory and Computation. 15, 11, p. 5925-5964

    Research output: Contribution to journalReview article

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

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

    Research output: Contribution to journalArticle

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

    Mihkel Ugandi, Ignacio Fdez. Galván, Per Olof Widmark & Roland Lindh, 2018, In: International Journal of Quantum Chemistry. 118, 21, e25755.

    Research output: Contribution to journalArticle

  9. 2016
  10. Multiconfigurational Quantum Chemistry

    Björn O. Roos, Roland Lindh, Perske Malmqvist, Valera Veryazov & Per Olof Widmark, 2016 Aug 15, Wiley-Blackwell. 224 p.

    Research output: Book/ReportBook

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

    Remigius Mastalerz, Per-Olof Widmark, Björn Roos, Roland Lindh & Markus Reiher, 2010, In: Journal of Chemical Physics. 133, 14, 144111.

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  18. 2004
  19. 2MOLCAS as a development platform for quantum chemistry software

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  22. Molcas programmer’s guide

    Jesper Wisborg Krogh, Roland Lindh, Per-Åke Malmqvist, Björn Roos, Valera Veryazov & Per-Olof Widmark, 2003, [Publisher information missing].

    Research output: Book/ReportReport

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  27. 1994