Per-Åke Malmqvist
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- 2004
-
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
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article
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Mark
Correlation potentials for a multiconfigurational-based density functional theory with exact exchange
(
- Contribution to journal › Article
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Mark
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing
(
- Contribution to journal › Article
- 2003
-
Mark
Relativistic and correlated calculations on the ground and excited states of ThO.
(
- Contribution to journal › Article
-
Mark
Bjorn's top ten
(
- Contribution to journal › Letter
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Mark
Heavy element quantum chemistry - the multiconfigurational approach.
2003)(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Molcas: a program package for computational chemistry.
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
2003)(
- Book/Report › Report
- 2002
-
Mark
A theoretical study of the 2(1)A(g)
(
- Contribution to journal › Article