Björn Roos (Former)
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- 2005
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Mark
New relativistic ANO basis sets for actinide atoms
(
- Contribution to journal › Article
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Mark
Multiconfigurational Quantum Chemistry
2005)(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Quantum chemical calculations show that the uranium molecule U-2 has a quintuple bond
(
- Contribution to journal › Article
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Mark
Perspectives in Calculations on Excited State in Molecular Systems
2005)(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2004
-
Mark
Relativistic quantum chemistry: the multiconfigurational approach
(
- Contribution to journal › Article
-
Mark
Main group atoms and dimers studied with a new relativistic ANO basis set
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
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- Contribution to journal › Scientific review
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Mark
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
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- Contribution to journal › Article
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Mark
Are Hartree-Fock atoms too small or too large?
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- Contribution to journal › Article
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Mark
A theoretical study of the bonding in trivalent americium complexes
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- Contribution to journal › Article