Standout Papers

Second-order perturbation theory with a complete active space self-consistent field r... 1989 2026 2001 2013 3.3k
  1. Second-order perturbation theory with a complete active space self-consistent field reference function (1992)
    Kerstin Andersson, Per‐Åke Malmqvist et al. The Journal of Chemical Physics
  2. A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2) (2004)
    Giovanni Ghigo, Björn O. Roos et al. Chemical Physics Letters
  3. MOLCAS 7: The Next Generation (2009)
    Francesco Aquilante, Luca De Vico et al. Journal of Computational Chemistry
  4. The CASSCF state interaction method (1989)
    Per‐Åke Malmqvist, Björn O. Roos Chemical Physics Letters
  5. Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set (2003)
    Björn O. Roos, Roland Lindh et al. The Journal of Physical Chemistry A
  6. The restricted active space (RAS) state interaction approach with spin–orbit coupling (2002)
    Per‐Åke Malmqvist, Björn O. Roos et al. Chemical Physics Letters
  7. MOLCAS: a program package for computational chemistry (2003)
    Gunnar Karlström, Roland Lindh et al. Computational Materials Science
  8. The multi-state CASPT2 method (1998)
    James P. Finley, Per‐Åke Malmqvist et al. Chemical Physics Letters
  9. New Relativistic ANO Basis Sets for Transition Metal Atoms (2005)
    Björn O. Roos, Roland Lindh et al. The Journal of Physical Chemistry A
  10. Multiconfiguration perturbation theory with imaginary level shift (1997)
    Niclas Forsberg, Per‐Åke Malmqvist Chemical Physics Letters

Immediate Impact

7 by Nobel laureates 10 from Science/Nature 112 standout
Sub-graph 1 of 13

Citing Papers

Delayed fluorescence from inverted singlet and triplet excited states
2022 StandoutNature
Ultrahard magnetism from mixed-valence dilanthanide complexes with metal-metal bonding
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20 intermediate papers

Works of Per‐Åke Malmqvist being referenced

New Relativistic ANO Basis Sets for Transition Metal Atoms
2005 Standout
Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
2003 Standout
and 11 more

Author Peers

Author Last Decade Papers Cites
Per‐Åke Malmqvist 9244 3789 2705 6353 63 17.3k
Aron J. Cohen 7956 4149 2532 7343 61 19.8k
Kiet A. Nguyen 8401 4729 3308 6122 61 19.7k
Roland Lindh 7631 3199 2539 5215 197 15.5k
Nikita Matsunaga 8536 4430 3364 5142 44 19.0k
David P. Tew 6728 3843 3026 6180 121 17.1k
Shiro Koseki 9360 4633 3644 5736 111 20.5k
Filipp Furche 6879 3270 2333 6869 165 16.9k
Cary F. Chabalowski 6124 3348 3192 6259 41 20.7k
Andreas Savin 6186 3479 1779 6282 80 17.5k
Stephen T. Elbert 8940 4496 3543 5047 31 19.2k

All Works

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