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2004
Mark Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers
Roos, Björn ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2004) In Theoretical Chemistry Accounts 111(2-6). p.345-351
- Contribution to journal › Article
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
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 A theoretical study of the bonding in trivalent americium complexes
Vetere, V ; Roos, Björn ^LU ; Maldivi, P and Adamo, C (2004) In Chemical Physics Letters 396(4-6). p.452-457
- 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) In Advances in Quantum Chemistry 47. p.37-49
- Contribution to journal › Scientific review
Mark A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
Ghigo, Giovanni ^LU ; Roos, Björn ^LU and Malmqvist, Per-Åke ^LU (2004) In Chemical Physics Letters 396(1-3). p.142-149
- Contribution to journal › Article
2003
Mark A theoretical analysis of the excited states in 2-benzoylthiophene.
González-Luque, R ; Merchán, M ; Rubio, M ; Serrano-Andrés, L ; Roos, Björn ^LU and Miranda, M-Á (2003) In Molecular Physics 101(13). p.1977-1982
- Contribution to journal › Article
Mark On the reaction of a uranium atom with a nitrogen molecule: a theoretical attempt
Gagliardi, L. ; La Manna, G. and Roos, Björn ^LU (2003) In Faraday Discussions 124. p.63-68
- Contribution to journal › Article
Mark The ground state potential for the chromium dimer revisited.
Roos, Björn ^LU (2003) In Collection of Czechoslovak Chemical Communications 68(2). p.265-274
- Contribution to journal › Article
Mark II: Properties of Diatomic and Triatomic Molecules. A theoretical study of the X 6Σ+, A 6Σ+, and 6Δ states of CrH
Roos, Björn ^LU (2003) In Molecular Physics 101(1-2). p.87-91
- Contribution to journal › Article

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