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
The company established by three anthropologists relied on strong research expertise
Etnografinen tutkimustoimisto Kenno Oy was established in 2014 when its three founders were finalising their master's degree studies at the University of Helsinki and wanted to create an interesting job for themselves.
Bachelor's Students Successfully Complete Research Internship
Three bachelor's students have successfully completed their research internships.
From Materials to Smart Textiles: Benjamin Begins a New Chapter at Aalto
Ping-Chun Chen is a researcher from National Tsing Hua University, Taiwan.