Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters
5 years ago

Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle–Particle Random Phase Approximation

Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle–Particle Random Phase Approximation
Neil Qiang Su, Weitao Yang, Du Zhang
The GW self-energy, especially G0W0 based on the particle–hole random phase approximation (phRPA), is widely used to study quasiparticle (QP) energies. Motivated by the desirable features of the particle–particle (pp) RPA compared to the conventional phRPA, we explore the pp counterpart of GW, that is, the T-matrix self-energy, formulated with the eigenvectors and eigenvalues of the ppRPA matrix. We demonstrate the accuracy of the T-matrix method for molecular QP energies, highlighting the importance of the pp channel for calculating QP spectra.

Publisher URL: http://dx.doi.org/10.1021/acs.jpclett.7b01275

DOI: 10.1021/acs.jpclett.7b01275

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