An international team of researchers at the Karlsruhe Institute of Technology (KIT) has developed a new method for analyzing ...

The NAO2GTO scheme provides an efficient way to evaluate the electron repulsion integrals (ERIs) over numerical atomic orbitals (NAOs) with auxiliary Gaussian-type orbitals (GTOs). However, the ...

L-theanine benefits may include helping you relax, de-stress, and sleep better. L-theanine also shows promise for cognitive and mental health issues, potentially ...

Importantly, the relevance of distinct angular momentum l orbitals for atoms is expected to be a continuous function: as we move to heavier elements, we first see an increasing importance of p ...

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Artist's concept of the signal (r.) occurring during measurement of resonant inelastic X-ray scattering in samples containing ...