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.
Read more news
A survey on users' experiences of Mykanta in collaboration between Aalto University and Kela
Senior university lecturer Sari Kujala's research group is exploring, in collaboration with Kela, users' experiences with the Mykanta online patient portal and the MyKanta mobile application.
Measuring urban nature: new habitat types and criteria support the prevention of biodiversity loss
A recent report introduces an anthropogenic habitat classification and assessment criteria that make it possible to visualize, measure, and compare nature in the built environment. These tools enable the assessment of ecological condition and support the development of green infrastructure and the prevention of biodiversity loss in cities.Online Writing retreats for doctoral students in Finnish in spring 2026
Join the monthly communal meetings for research reporting.