supplementary material
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https://aip.figshare.com/articles/dataset/supplementary_material/30743945
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资源简介：
The supplemental
material includes: 1) optimized geometries
of neutral pyridine and uracil; 2) exponents of
p,d, f ,g,h, and i diffuse functions; 3) convergence
criteria used for g,h, and i; 4) pictures of f and g
angular functions; 5) analytic continuation details; 6)
standard deviation formula; 7) detailed resonance results;
8) enlarged avoided crossings; 9) radial and angular
plots of pseudo-continuum states; 10) correlation
plots to illustrate how the resonance widths vary
with positions; 11) comparison between pyridine and
uracil results; 12) exploring adding more than one l
basis set; 13) convergence with respect to the number
of diffuse functions.
提供机构：
AIP Publishing
创建时间：
2025-11-30
