Peter Doak

most citedQuantitative Molecular Orbital Energies within a

G_{0} W_{0}

Approximation

61 citations · 61 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2012★ 61 cited

Quantitative Molecular Orbital Energies within a $G_{0} W_{0}$ Approximation

Sahar Sharifzadeh, Isaac Tamblyn, Peter Doak +2

Using many-body perturbation theory within the $G_{0} W_{0}$ approximation, we explore routes for computing the ionization potential (IP), electron affinity (EA), and fundamental gap of…

Quantitative Molecular Orbital Energies within a G0​W0​ Approximation

Quantitative Molecular Orbital Energies within a $G_{0} W_{0}$ Approximation