Parquet theory is formalized for molecules with a static kernel approximation that treats all scattering channels equally and is tested on ionization potentials of small systems.
Bench- mark ofGWmethods for azabenzenes.Phys
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Effective tuning of range-separated hybrid functionals supplies accurate starting orbitals for one-shot G0W0 and BSE calculations that match reference ionization potentials and neutral excitation energies across molecules and clusters.
G0W0@HF with RPA polarizabilities from BSE and a virtual-state convergence strategy is implemented in Gaussian orbitals plus density fitting for periodic solids and applied to C, Si, MgO, and TiO2.
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