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
3 Pith papers cite this work. Polarity classification is still indexing.
3
Pith papers citing it
citation-role summary
background 1
citation-polarity summary
verdicts
UNVERDICTED 3roles
background 1polarities
background 1representative citing papers
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.
citing papers explorer
-
Accurate starting points for one-shot $G_0W_0$ and Bethe-Salpeter Equation calculations via effective tuning of range-separated hybrid functionals
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.