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 · 4K citations

Computing, Computer Science, Scientific Computing +7

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 · 3.9K citations

Natural Sciences, Chemistry, Physics +12

MOLCAS: a program package for computational chemistry

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

Natural Sciences, Chemistry, Computational Chemistry +10

The multi-state CASPT2 method

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

Natural Sciences, Chemistry, Computer Science +6

MOLCAS 7: The Next Generation

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

Natural Sciences, Chemistry, Physics +12