A CAP-GW method is developed for approximating positions and lifetimes of shape resonances in small molecular anions, validated on N2^-, CO^-, and others with accuracy comparable to wavefunction-based approaches.
Bohm \ and\ author D
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Derives static effective Hamiltonians via cRPA and mRPA downfolding with double-counting corrections and compares performance on benzene ground state and bond dissociation curves.
The review describes how SSRPA fixes SRPA pathologies in EDF theory, presents applications to charge-conserving and charge-exchange excitations with experimental comparisons, and discusses impacts on the nuclear equation of state.
citing papers explorer
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Complex Absorbing Potential Green's Function Methods for Resonances
A CAP-GW method is developed for approximating positions and lifetimes of shape resonances in small molecular anions, validated on N2^-, CO^-, and others with accuracy comparable to wavefunction-based approaches.
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Static Effective Hamiltonians for Molecular Systems through RPA-based downfolding
Derives static effective Hamiltonians via cRPA and mRPA downfolding with double-counting corrections and compares performance on benzene ground state and bond dissociation curves.
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Recent applications of the subtracted second RPA method
The review describes how SSRPA fixes SRPA pathologies in EDF theory, presents applications to charge-conserving and charge-exchange excitations with experimental comparisons, and discusses impacts on the nuclear equation of state.