News

Wave-function inspired density functional applied to the H2/H+2 challenge

Our paper "Wave-function inspired density functional applied to the H2/H+2 challenge" is now published in the New Journal of Physics.

In this work, we derive a new correlation functional from the Bethe-Goldstone equation. The functional is relatively simple (of MP2 complexity), but captures static correlation effects as manifested by degenerate states. We think that this functional has great potential for the development of a new class of functionals that work for static correlation. You can find more details about the work in our paper New J. Phys. 18, 073026 (2016) or online http://iopscience.iop.org/article/10.1088/1367-2630/18/7/073026/meta.    

H2 (A) and H2+ (B) dissociation curves without breaking spin symmetry. Our new functional (BGE2) dissociates both H2 and H2+ correctly.

  • Published:
  • Updated:

Read more news

Lennart Engels, Karolin Kull, Ágnes László, Julia Postrzech and Valenti Soler won the Habitare Design competition 2023.
Awards and Recognition, Research & Art, Studies, University Published:

Team of Interior Architect and Contemporary Design students won the Habitare Design competition 2023

The Habitare Design Competition is intended for students studying art, design, and architecture in Finland. This year ‘s theme of the competition was “Tools for togetherness”, which required the teams to design and implement new types of tools to promote togetherness and interaction on a human scale or more widely.
The Fifth Wave - BRIE-ETLA Collection of Articles book cover
Research & Art Published:

Audiobooks can today be created with AI

The Department of Industrial Engineering and Management has published its first AI-based audiobook.
Värikkäitä ja läpinäkyviä pinnoitenäytteitä puupölkyn päällä.
Press releases, Research & Art Published:

Is wood brown, blue, yellow, or transparent? Researchers discovered ways to make transparent and colourful coatings from wood

Researchers have succeeded in developing new types of coatings from lignin in trees. The invention has many potential uses, for example in anti-fogging coatings, where it can replace highly toxic chemicals.
Open pit mining machines
Cooperation, Research & Art Published:

New collaboration targets the mine-to-market value chain

FCAI, Metso and partners address sustainability in mining with artificial intelligence.