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
Researcher-established company Xiphera growing rapidly
Xiphera Oy, which is celebrating its ninth anniversary, has developed hardware-based encryption solutions for the prevention of information security threats. The company is a deep tech company and its products are based on research and produce new technological solutions.
Applications open for Innovation Postdoc in AI
A fully funded, 12–month career track to turn your doctoral discoveries into a deep-tech startup.
A Finnish working group’s artwork brings a cooling garden to Spain, which is sweltering in the heat
Through their garden art installation, a group of Finnish architects and artists proposes vegetation and a sense of community, among other things, as solutions to urban heat islands and the environmental crisis.