Here is a concise summary of the NIST article on atomic reference data for electronic structure calculations:
Title: NIST Releases Atomic Reference Data for Electronic Structure Calculations
Key Points:
– NIST has released a new set of atomic reference data for electronic structure calculations
– The data covers 300 atomic and ionic species, including all elements from hydrogen to einsteinium
– It provides critical reference values for atomic properties like ionization energies, electron affinities, and excitation energies
– The data is intended to improve the accuracy and reliability of quantum chemistry calculations
– It will be useful for researchers in fields like materials science, chemistry, and physics
The data is available for download from the NIST Atomic Spectra Database website. It is expected to be widely used by researchers to improve the accuracy of their electronic structure calculations and simulations.
Keywords: clean, format, task
