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- Michiel J van Setten, Fabio Caruso, +12 authors Patrick Rinke
- Journal of chemical theory and computation
- 2015

We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW… (More)

- Fang ai Liu, Lin Lin, +8 authors Steven G. Louie
- J. Comput. Physics
- 2015

We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our… (More)

- James Michael McClain, Johannes Lischner, +5 authors Garnet Kin-Lic Chan
- 2016

We use ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas at a Wigner-Seitz radius of r_s=4. The coupled-cluster approximations we employ go significantly… (More)

- M. J. Van Setten, Fabio Caruso, +13 authors Patrick Rinke
- 2015

We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW… (More)

We present theoretical calculations of quasiparticle energies in closed-shell molecules using the GW method. We compare three different approaches: a full-frequency $G_0W_0$ (FF-$G_0W_0$) method with… (More)

- Johannes Lischner, Gunnar Palsson, +5 authors Steven G. Louie
- 2015

We report the first angle-resolved photoemission measurement of the wave-vector dependent plasmon satellite structure of a three-dimensional solid, crystalline silicon. In sharp contrast to… (More)

- Dillon Wong, Fabiano Corsetti, +8 authors Michael F Crommie
- 2017

Author(s): Wong, D; Corsetti, F; Wang, Y; Brar, VW; Tsai, H-Z; Wu, Q; Kawakami, RK; Zettl, A; Mostofi, AA; Lischner, J; Crommie, MF

Adsorbed atoms and molecules play an important role in controlling and tuning the functional properties of two-dimensional (2D) materials. Understanding and predicting this process from theory is… (More)

We compute the phase diagram of twisted bilayer graphene near the magic angle where the occurrence of flat bands enhances the effects of electron-electron interactions and thus unleashes… (More)

We present theoretical calculations for the spectral functions and single-particle densities of states of the two-dimensional electron gas in semiconductor quantum wells at different electron… (More)