Björn O. Roos

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

Björn O. Roos, Peter R. Taylor, Per E.M. Sigbahn · Chemical Physics · 1980 · 3.9K citations

Numerical Analysis, Engineering, Aerospace Engineering +6

Second-order perturbation theory with a complete active space self-consistent field reference function

Kerstin Andersson, Per‐Åke Malmqvist, Björn O. Roos · The Journal of Chemical Physics · 1992 · 3.8K citations

Spectral Theory, Engineering, Geometric Singular Perturbation Theory +20

MOLCAS: a program package for computational chemistry

Gunnar Karlström, Roland Lindh, Per‐Åke Malmqvist et al. · Computational Materials Science · 2003 · 1.7K citations

Engineering, Mathematical Chemistry, Molecular Computing +4

MOLCAS 7: The Next Generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré et al. · Journal of Computational Chemistry · 2009 · 1.5K citations

The multi-state CASPT2 method

James P. Finley, Per‐Åke Malmqvist, Björn O. Roos et al. · Chemical Physics Letters · 1998 · 1.5K citations

Engineering, State Space Search, Modeling And Simulation +4