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Excited State I: Method development: Many-Body Perturbation Theory

FOCUS · G46 · ID: 47304

Presentations

  • Massively parallel cubic-scaling GW calculations with the OpenAtom software

    ORAL · Invited

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    Presenters

    • Sohrab Ismail-Beigi

      Yale University, Department of Physics, Yale University; Department of Applied Physics, Yale University;Department of Mechanical Engineering & Materials Science, Yale University

    Authors

    • Sohrab Ismail-Beigi

      Yale University, Department of Physics, Yale University; Department of Applied Physics, Yale University;Department of Mechanical Engineering & Materials Science, Yale University

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  • Real-Space Stochastic GW Calculations Benchmark on GW100

    ORAL

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    Presenters

    • Ishita Shitut

      Department of Physics, Indian Institute of Science Bangalore

    Authors

    • Ishita Shitut

      Department of Physics, Indian Institute of Science Bangalore

    • Weiwei Gao

      Dalian University of Technology

    • James R Chelikowsky

      University of Texas at Austin, Texas Center for Superconductivity and Department of Chemistry, University of Houston, Houston, TX 77204, USA

    • Amir Natan

      Tel Aviv University

    • Hulikal R Krishnamurthy

      Indian Institute of Science Bangalore

    • Manish Jain

      Indian Institute of Science Bangalore

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  • Making the intractable tractable: GW-BSE calculation of the nature of interlayer and intralayer moiré excitons in large-area moiré superlattices.

    ORAL

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    Presenters

    • Mit H Naik

      University of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Lab

    Authors

    • Mit H Naik

      University of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Lab

    • Zhenglu Li

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory; University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory

    • Yang-Hao Chan

      Institute of Atomic and Molecular Sciences, Academia Sinica, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei

    • Felipe H da Jornada

      Stanford Univ, Stanford University

    • Steven G Louie

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, University of California Berkeley, University of California, Berkeley, University of California at Berkeley; Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, UC Berkeley & Lawrence Berkeley National Laboratory

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  • Extending the ab initio Bethe-Salpeter equation approach to include phonon screening

    ORAL

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    Publication: [1] Rohlfing, M., & Louie, S. G. (2000). Electron-hole excitations and optical spectra from first principles. Physical Review B - Condensed Matter and Materials Physics, 62(8), 4927–4944. <br>[2] Alvertis, A. M., Pandya, R., Muscarella, L. A., Sawhney, N., Nguyen, M., Ehrler, B., Rao, A., Friend, R. H., Chin, A. W., & Monserrat, B. (2020). Impact of exciton delocalization on exciton-vibration interactions in organic semiconductors. Physical Review B - Condensed Matter and Materials Physics, 102, 081122(R). <br>[3] Filip, M. R., Haber, J. B., & Neaton, J. B. (2021). Phonon Screening of Excitons in Semiconductors: Halide Perovskites and beyond. Physical Review Letters, 127(6), 67401.

    Presenters

    • Antonios Alvertis

      Univ of Cambridge

    Authors

    • Antonios Alvertis

      Univ of Cambridge

    • Jonah B Haber

      University of California, Berkeley, University of California, Berkeley; Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Marina R Filip

      University of Oxford, Department of Physics, University of Oxford, Oxford OX1 3PJ, United Kingdom.

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, University of California, Berkeley; Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano

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  • Optimally-Tuned Starting Points for One-Shot GW Calculations of Solids

    ORAL

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    Publication: S. E. Gant, J. B. Haber, M. Filip, F. Sagredo, D. Wing, G. Ohad, L. Kronik, J B. Neaton. An Optimally-Tuned Starting Point for Single-Shot $GW$ Calculations of Solids. (In preparation)

    Presenters

    • Stephen E Gant

      University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    Authors

    • Stephen E Gant

      University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Jonah B Haber

      University of California, Berkeley, University of California, Berkeley; Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Francisca Sagredo

      Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Guy Ohad

      Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel, Weizmann Institute for Science

    • Dahvyd Wing

      Weizmann Institute of Science

    • Marina R Filip

      University of Oxford, Department of Physics, University of Oxford, Oxford OX1 3PJ, United Kingdom.

    • Leeor Kronik

      Weizmann Institute of Science, Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, University of California, Berkeley; Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano

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  • Electronic properties of crystalline solids from Wannier-localization–based optimal tuning of a screened range-separated hybrid functional

    ORAL

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    Presenters

    • Guy Ohad

      Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel, Weizmann Institute for Science

    Authors

    • Guy Ohad

      Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel, Weizmann Institute for Science

    • Dahvyd Wing

      Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel

    • Marina R Filip

      University of Oxford, Department of Physics, University of Oxford, Oxford OX1 3PJ, United Kingdom.

    • Ayala V Cohen

      Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel

    • Jonah B Haber

      University of California, Berkeley, University of California, Berkeley; Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Stephen E Gant

      University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Francisca Sagredo

      Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, University of California, Berkeley; Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano

    • Leeor Kronik

      Weizmann Institute of Science, Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel

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  • Relativistic Self-ConsistentGW: Exact Two-Component Formalism with One-Electron Approximation

    ORAL

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    Publication: Relativistic Self-Consistent GW: Exact Two-Component Formalism with One-Electron Approximation, Chia-Nan Yeh, Avijit Shee, Dominika Zgid, Emanuel Gull. In preparation.

    Presenters

    • Chia-Nan Yeh

      University of Michigan, Ann Arbor, University of Michigan

    Authors

    • Chia-Nan Yeh

      University of Michigan, Ann Arbor, University of Michigan

    • Avijit Shee

      University of Michigan

    • Dominika Zgid

      University of Michigan

    • Emanuel C Gull

      University of Michigan

    View abstract →