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2004
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 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 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 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 2MOLCAS as a development platform for quantum chemistry software
Veryazov, Valera ^LU ; Widmark, Per-Olof ^LU ; Serrano-Andres, Luis ; Lindh, Roland ^LU and Roos, Björn ^LU (2004) In International Journal of Quantum Chemistry 100(4). p.626-635
- 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
2003
Mark An accurate quartic force field and fundamental frequencies for the ozonide anion.
Lee, T J ; Roos, Björn ^LU ; Dateo, C E and Rubio, M (2003) In Collection of Czechoslovak Chemical Communications 68(1). p.189-201
- Contribution to journal › Article
Mark The allyl radical revisited: A theoretical study of the electronic spectrum.
Aquilante, Francesco ^LU ; Jensen, Kasper ^LU and Roos, Björn ^LU (2003) In Chemical Physics Letters 380(5-6). p.689-698
- 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 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

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