Concepedia

The excited states of pyrazine: A basis set study

M. P. F�lscher, Björn O. Roos

Theoretical Chemistry Accounts · 1994 · 49 citations · 15 references

DOI

Concepts

References

15

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

Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene

Luis Serrano‐Andrés, Manuela Merchán, Ignacio Nebot‐Gil et al. · The Journal of Chemical Physics · 1993 · 408 citations · Full text

, , +17

Calculation of transition density matrices by nonunitary orbital transformations

Per‐Åke Malmqvist · International Journal of Quantum Chemistry · 1986 · 395 citations

, , +13