Per-Åke Malmqvist

31 – 40 of 45

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/person/a353e720-bb9b-4680-b6db-f4f87b73683b?embed=1&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

2004
Mark Relativistic quantum chemistry: the multiconfigurational approach
Roos, Björn ^LU and Malmqvist, Per-Åke ^LU (2004) In Physical Chemistry Chemical Physics 6(11). p.2919-2927
- Contribution to journal › Article
Mark Main group atoms and dimers studied with a new relativistic ANO basis set
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858
- Contribution to journal › Article
Mark On the Effects of Spin-Orbit Coupling on Molecular Properties: Dipole Moment and Polarizability of PbO and Spectroscopic Constants for the Ground and Excited States
Roos, Björn ^LU and Malmqvist, Per-Åke ^LU (2004) 47. p.37-37
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark Correlation potentials for a multiconfigurational-based density functional theory with exact exchange
Gusarov, Sergey ^LU ; Malmqvist, Per-Åke ^LU ; Lindh, Roland ^LU and Roos, Björn ^LU (2004) In Theoretical Chemistry Accounts 112(2). p.84-94
- Contribution to journal › Article
2003
Mark Relativistic and correlated calculations on the ground and excited states of ThO.
Paulovic, J ; Nakajima, T ; Hirao, K ; Lindh, Roland ^LU and Malmqvist, Per-Åke ^LU (2003) In Journal of Chemical Physics 119(2). p.798-805
- Contribution to journal › Article
Mark Heavy element quantum chemistry - the multiconfigurational approach.
Roos, Björn ^LU ; Malmqvist, Per-Åke ^LU and Gagliardi, L (2003)
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark Bjorn's top ten
Lindh, Roland ^LU and Malmqvist, Per-Åke ^LU (2003) In Theoretical Chemistry Accounts 110(3). p.115-117
- Contribution to journal › Letter
Mark Molcas: a program package for computational chemistry.
Karlström, Gunnar ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU ; Ryde, Ulf ^LU ; Veryazov, Valera ^LU ; Widmark, Per-Olof ^LU ; Cossi, M ; Schimmelpfennig, B and Neogrady, P , et al. (2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239
- Contribution to journal › Article
Mark Molcas programmer’s guide
Krogh, Jesper Wisborg ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2003)
- Book/Report › Report
2002
Mark A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions
Stålring, Jonna ; Bernhardsson, Anders and Malmqvist, Per-Åke ^LU (2002) In Journal of Chemical Physics 117(3). p.1010-1016
- Contribution to journal › Article