supplementary material

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Authors: Maneesh Pyla, Spiridoula Matsika
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Abstract

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.

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026