Focus Session: Frontiers in Electronic Structure Theory IV

Presentations

• Ab-initio DMRG and Canonical Transformation Theories of Electronic Structure

  COFFEE_KLATCH · Invited

  March 7, 2007, 9:15 AM – March 7, 2007, 9:51 AM

  Authors

  • Garnet Chan

    • Cornell University

  View abstract →

• Real-time {\it ab initio} simulations of excited-state dynamics in nanostructures

  COFFEE_KLATCH · Invited

  March 7, 2007, 9:51 AM – March 7, 2007, 10:27 AM

  Authors

  • David Tomanek

    • Michigan State University

  View abstract →

• First principles spectroscopy of confined water.

  ORAL

  March 7, 2007, 10:27 AM – March 7, 2007, 10:39 AM

  Authors

  • Manu Sharma

    • Department of Chemistry, University of California, Davis

  • Giulia Galli

    • Department of Chemistry, University of California, Davis, CA, 95616
    • Department of Chemistry, University of California, Davis
    • UC Davis
    • University of California, Davis
    • University of California, Davis, CA
    • University of California at Davis
    • Lawrence Livermore National Laboratory

  View abstract →

• Quadratic Scaling Local Canonical Transformation Method.

  ORAL

  March 7, 2007, 10:39 AM – March 7, 2007, 10:51 AM

  Authors

  • Debashree Ghosh

    • Cornell University

  • Takeshi Yanai

    • Cornell University

  • Garnet Kin-Lic Chan

    • Cornell University

  View abstract →

• Representing molecules as atomic-scale electrical circuits with fluctuating-charge models

  ORAL

  March 7, 2007, 10:51 AM – March 7, 2007, 11:03 AM

  Authors

  • Jiahao Chen

    • University of Illinois at Urbana-Champaign

  • Todd Martinez

    • University of Illinois at Urbana-Champaign
    • UIUC
    • University of Illinois
    • University of Illinois at Urbana-Champaign, Dept of Chemistry
    • Dept. of Chemistry, Univ. of Illinois at Urbana-Champaign

  View abstract →

• Partition-of-unity finite element method for large, accurate electronic-structure calculations

  ORAL

  March 7, 2007, 11:03 AM – March 7, 2007, 11:15 AM

  Authors

  • John Pask

    • Lawrence Livermore National Laboratory

  • Natarajan Sukumar

    • University of California, Davis

  View abstract →

• Anti-Hermitian Contracted Schr{\"o}dinger Equation for the Determination of Ground-state Energies and Two-electron Reduced-density-matrices without Wavefunctions

  ORAL

  March 7, 2007, 11:15 AM – March 7, 2007, 11:27 AM

  Authors

  • David Mazziotti

    • University of Chicago

  View abstract →

• A Near Linear-Scaling Smooth Local Coupled Cluster Algorithm for Electronic Structure

  ORAL

  March 7, 2007, 11:27 AM – March 7, 2007, 11:39 AM

  Authors

  • Joseph Subotnik

    • UC Berkeley

  • Alex Sodt

    • University of California, Berkeley and LBNL Chemical Sciences Division
    • UC Berkeley

  • Martin Head-Gordon

    • UC Berkeley

  View abstract →

• Linear scaling integral fitting

  ORAL

  March 7, 2007, 11:39 AM – March 7, 2007, 11:51 AM

  Authors

  • Alex Sodt

    • University of California, Berkeley and LBNL Chemical Sciences Division
    • UC Berkeley

  • Martin Head-Gordon

    • University of California, Berkeley and LBNL Chemical Sciences Division

  View abstract →

• New many-body approach to photoemission and spectral functions

  ORAL

  March 7, 2007, 11:51 AM – March 7, 2007, 12:03 PM

  Authors

  • Carl-Olof Almbladh

    • Department of Physics, Lund University, Lund, Sweden
    • Mathematical Physics, Lund University (Sweden)

  • Claudio Verdozzi

    • Department of Physics, Lund University, Lund, Sweden
    • Mathematical Physics, Lund University (Sweden)

  View abstract →

• Targeting individual excited states in DMRG.

  ORAL

  March 7, 2007, 12:03 PM – March 7, 2007, 12:15 PM

  Authors

  • Jonathan Dorando

    • Cornell University

  • Johannes Hachmann

    • Cornell University

  • Garnet Kin-Lic Chan

    • Cornell University

  View abstract →