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Taming Negative Ion Resonances Using Nonlocal Exchange-Correlation Functionals
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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space
Published 2020“…For the numerical case, user can directly provide <i>ab initio</i> data (adiabatic PESs and NACTs) as input files to this software or can generate those input files through in-built python codes interfacing MOLPRO followed by ADT calculation. …”
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