Björn Roos (Former)

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2005
Mark Quantum chemical calculations show that the uranium molecule U-2 has a quintuple bond
Gagliardi, L and Roos, Björn ^LU (2005) In Nature 433(7028). p.848-851
- Contribution to journal › Article
Mark New relativistic ANO basis sets for actinide atoms
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU and Widmark, Per-Olof ^LU (2005) In Chemical Physics Letters 409(4-6). p.295-299
- Contribution to journal › Article
Mark Multiconfigurational Quantum Chemistry
Roos, Björn ^LU (2005)
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark Perspectives in Calculations on Excited State in Molecular Systems
Roos, Björn ^LU (2005)
- Chapter in Book/Report/Conference proceeding › Book chapter
2004
Mark Collisional properties of trapped cold chromium atoms
Pavlovic, Z ; Roos, Björn ^LU ; Cote, R and Sadeghpour, H R (2004) In Physical Review A (Atomic, Molecular and Optical Physics) 69(3). p.1-030701
- Contribution to journal › Article
Mark A theoretical study of the excited states of CrH: Potential energies, transition moments, and lifetimes
Ghigo, Giovanni ^LU ; Roos, Björn ^LU ; Stancil, P C and Weck, P F (2004) In Journal of Chemical Physics 121(17). p.8194-8200
- Contribution to journal › Article
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
Mark Are Hartree-Fock atoms too small or too large?
Cohen, A J ; Handy, N C and Roos, Björn ^LU (2004) In Physical Chemistry Chemical Physics 6(11). p.2928-2931
- 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 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

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