Our latest work on multireference coupled cluster methods has been published in JCTC!
We’re excited to have come very close to achieving our goal of developing a method that matches the cost and accuracy of CCSD(T).
https://t.co/R3Abik454O
Just published our latest work on pre-Born-Oppenheimer wave functions!
Actually, in a pure state, all molecules are spherically symmetric!
We showed how to recover the spherical symmetry using projection operators.
https://t.co/WCJkUMFLhL
I’m happy to share our latest work on Second-Order SCF algorithms.
We showed, for example, that ARH is a black-box method that can reliably optimize orbitals of strongly correlated systems! @AlbertoBaiardi #MarkusReiher
https://t.co/6uiXRaDo66
@Regendelfin @LSW4682 @Maurice_Conrad Artikel vom Postillion sind doch auch nicht gekennzeichnet. Wer immer noch nicht weiß, dass die NZZ ein Satiremagazin ist, ist selbst schuld.
Automated CAS selection for DMRG? Open-source and free? Yes please! AutoCAS v2.0.0 has had its Python release a few days ago.
Well done @Max_Moerchen. Find it on PyPI and at https://t.co/fMLvg5dOj3
#compchem cc: @QCstein
I’m very happy to share my first first-author paper about the nuclear-electronic DMRG... among other things, we showed that nuclear and electronic wave functions aren’t even that different!
https://t.co/LgolIM2bh1
"Man ist es nicht gewohnt auf Probleme zu reagieren, die viele Jahre dauern...daher bin ich dankbar, dass jetzt die Jugend überall auf das Problem aufmerksam macht". #Physik-Nobelpreisträger Klaus Hasselmann @MPI_Meteo über das Engagement #FridaysforFuture gegen den #Klimawandel