We describe how to apply the recently developed pole expansion plus selected inversion (PEpSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give analytic expressions for evaluating charge density, total energy, Helmholtz free energy and atomic forces without using the eigenvalues and eigenvectors of the Kohn-Sham Hamiltonian. We also show how to update the chemical potential without using Kohn-Sham eigenvalues. The advantage of using PEpSI is that it has a much lower computational complexity than that associated with the matrix diagonalization procedure. We demonstrate the performance gain by comparing the timing of PEpSI with that of diagonalization on insulating and metallic nanotubes. For these quasi-1D systems, the complexity of PEpSI is linear with respect to the number of atoms. This linear scaling can be observed in our computational experiments when the number of atoms in a nanotube is larger than a few hundreds. Both the wall clock time and the memory requirement of PEpSI is modest. This makes it even possible to perform Kohn-Sham DFT calculations for 10,000-atom nanotubes on a single processor. We also show that the use of PEpSI does not lead to loss of accuracy required in …

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This report forms part of the Conceptual Design Report (CDR) of the Compact LInear Collider (CLIC). The CLIC accelerator complex is described in a separate CDR volume. A third document, to appear later, will assess strategic scenarios for building and operating CLIC in successive center-of-mass energy stages. It is anticipated that CLIC will commence with operation at a few hundred GeV, giving access to precision standard-model physics like Higgs and top-quark physics. Then, depending on the physics landscape, CLIC operation would be staged in a few steps ultimately reaching the maximum 3 TeV center-of-mass energy. Such a scenario would maximize the physics potential of CLIC providing new physics discovery potential over a wide range of energies and the ability to make precision measurements of possible new states previously discovered at the Large Hadron Collider (LHC). The main purpose of this document is to address the physics potential of a future multi-TeV e{sup +}e{sup -} collider based on CLIC technology and to describe the essential features of a detector that are required to deliver the full physics potential of this machine. The experimental conditions at CLIC are significantly more challenging than those at previous electron-positron colliders due to the much higher …

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.

Photograph taken during Comedy Night at the Muse, featuring Tiffany Haddish, sponsored by The Black Academy of Arts and Letters in Dallas, Texas.