Concepedia

The multi-state CASPT2 method

James P. Finley, Per‐Åke Malmqvist, Björn O. Roos, Luis Serrano‐Andrés

Chemical Physics Letters · 1998 · 1.5K citations · 25 references

DOI

Concepts

References

25

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

, , +12

Second-order perturbation theory with a CASSCF reference function

Kerstin Andersson, Per Aake. Malmqvist, Bjoern O. Roos et al. · The Journal of Physical Chemistry · 1990 · 3.3K citations

, , +9

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Per‐Olof Widmark, Per-�ke Malmqvist, Bj�rn O. Roos · Theoretical Chemistry Accounts · 1990 · 2K citations

, , +16

Electronic Spectra of Polyatomic Molecules

H. Sponer, Edward Teller · Reviews of Modern Physics · 1941 · 1.3K citations

, , +14

Quasidegenerate perturbation theory with multiconfigurational self-consistent-field reference functions

Haruyuki Nakano · The Journal of Chemical Physics · 1993 · 929 citations

, , +16