Journal of chemical theory and computation
Complex Absorbing Potential Green's Function Methods for Resonances.
Loris Burth, Fábris Kossoski, Pierre-François Loos
Published: 202510.1021/acs.jctc.5c01164
Abstract
The complex absorbing potential (CAP) formalism has been successfully employed in various wave function-based methods to study electronic resonance states. In contrast, Green's function-based methods are widely used to compute ionization potentials a…
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