Time-dependent density functional theory of high excitations: to infinity, and beyond
نویسندگان
چکیده
منابع مشابه
Time-dependent density functional theory of high excitations: to infinity, and beyond.
We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the positive energy side merge continuously at E=0, allowing both to be found by the same method. We illustrate with simple, one-dimensional examples: the spherical...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2009
ISSN: 1463-9076,1463-9084
DOI: 10.1039/b901402k