Quantum critical benchmark for electronic structure theory
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چکیده
منابع مشابه
Quantum critical benchmark for electronic structure theory
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. Variational methods can yield highly accurate energies, but may be less accurate for other operators of interest. A pseudospectral method yields very accurate expectations values for the two-electron ion with nuclear charge at and close to the critical value which yields zero ionization en...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2015
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.91.032501