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Björn O. Roos

Swedish e-Science Research Centre
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Top Publications

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
Chemical Physics19803,922 citationsFirst authorCorresponding
Second-order perturbation theory with a complete active space self-consistent field reference function
The Journal of Chemical Physics19923,836 citations
MOLCAS 7: The Next Generation
Journal of Computational Chemistry20091,541 citations
The multi-state CASPT2 method
Chemical Physics Letters19981,523 citations
Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
The Journal of Physical Chemistry A20031,494 citationsFirst authorCorresponding
The restricted active space (RAS) state interaction approach with spin–orbit coupling
Chemical Physics Letters20021,162 citations
New Relativistic ANO Basis Sets for Transition Metal Atoms
The Journal of Physical Chemistry A20051,095 citationsFirst authorCorresponding
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
Chemical Physics Letters20041,041 citationsCorresponding
The CASSCF state interaction method
Chemical Physics Letters19891,001 citations
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
Molecular Physics1999563 citations
A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction
Chemical Physics1982294 citationsFirst authorCorresponding
Björn O. Roos · Scinovex