Laboratoire de Chimie Quantique de Strasbourg

A new publication by Loris Delafosse, Vincent Robert and Saad Yalouz

Loris Delafosse, Vincent Robert and Saad Yalouz published a new paper, “Orthogonally constrained CASSCF framework: Newton–Raphson orbital optimization and nuclear gradients” in The Journal of Chemical Physics

Mini-workshop on quantum information, electron correlation, and excited states

November 28, 2023January 11, 2024 grouaut

We are pleased to welcome Christian Schilling (LMU, Munich, Germany) and some of his group members (Julia Liebert and Lexin Ding) to the Laboratoire de Chimie Quantique de Strasbourg, on December 20th.

Seminar

New publication by Emmanuel FROMAGER and coworkers

October 26, 2023November 18, 2024 grouaut

Emmanuel Fromager and co. published a new paper, “Unitary transformations within density matrix embedding approaches: A perspective on the self-consistent scheme for electronic structure calculation”, in Physical Review B

Publication

Invitation of Paul Johnson

September 7, 2023November 28, 2023 grouaut

The LCQS welcomed Paul Johnson as visiting Professor from the University of Laval in Québec during the second week of September 2023.

Seminar

Mini-Symposium

September 4, 2023November 28, 2023 grouaut

We are pleased to welcome Carmen Calzado from Seville (Spain) and Celestino Angeli from Ferrara (Italy) as jury members of Pablo’s thesis for a mini-symposium, Thursday September 7th in the morning.