Researchers at Lawrence Berkeley National Laboratory have developed a 4D-STEM workflow that can isolate and solve atomic structures from individual nanocrystals buried inside dense, tangled clusters, ...

ABSTRACT: Ab initio quantum chemistry aims to predict molecular properties solely from fundamental physical constants and system composition, without empirical parameterization. This review elucidates ...

Reliable description of bond breaking remains a major challenge for quantum chemistry due to the multireferential character of the electronic structure in dissociating species. Multireferential ...

We present a comparative study of different modeling approaches to the electronic properties of the Hf0.05Nb0.05Ta0.8Ti0.05Zr0.05 high-entropy alloy. Common to our modeling is the methodology to ...

Chiral effective field theory (EFT) provides a solid foundation for understanding low-energy interactions between pions, nucleons and external electroweak sources using the symmetry properties of QCD.

Over the last decade, nuclear theory has made dramatic progress in few-body and ab initio many-body calculations. These great advances stem from chiral effective field theory (χ \chi χEFT), which ...

These tools are part of a group of methods called effective field theory (EFT). EFT in turn is a type of approach called "ab initio," or "first principles." Ab initio means a calculation starts with ...

Top: protons striking a nucleus deflect from their original path depending on velocity, location of impact, and force from the protons inside the nucleus. Bottom: elastic proton scattering cross ...

FRIB researchers are part of an international research team solving challenging computational problems in quantum physics using a new method called wavefunction matching. The new approach has ...