Publikationen
Journal Article (4)
2019
Journal Article
15 (7), pp. 4170 - 4179 (2019)
Benchmarks for Electronically Excited States with CASSCF Methods. Journal of Chemical Theory and Computation
Journal Article
40 (14), pp. 1463 - 1470 (2019)
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry
Journal Article
150 (17), 174121 (2019)
CASSCF linear response calculations for large open-shell molecules. The Journal of Chemical Physics
Journal Article
518 (2), pp. 38 - 46 (2019)
Relativistic Cholesky-decomposed density matrix MP2. Chemical Physics