Jean-Luc Fattebert

Works (7)

Updated: July 5th, 2023 16:03

2001 journal article

O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube-metal contacts

PHYSICAL REVIEW B, 64(24).

By: M. Nardelli n, J. Fattebert n & J. Bernholc n 

Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

Large-scale applications of real-space multigrid methods to surfaces, nanotubes, and quantum transport

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 217(1), 685–701.

By: J. Bernholc n , E. Briggs n, C. Bungaro n, M. Nardelli n, J. Fattebert n, K. Rapcewicz n, C. Roland n, W. Schmidt n, Q. Zhao n

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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

Mechanical properties, defects and electronic behavior of carbon nanotubes

CARBON, 38(11-12), 1703–1711.

By: M. Nardelli n, J. Fattebert n, D. Orlikowski n, C. Roland n, Q. Zhao n & J. Bernholc n 

author keywords: carbon nanotubes; mechanical properties, electronic properties
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

Towards grid-based O(N) density-functional theory methods: Optimized nonorthogonal orbitals and multigrid acceleration

PHYSICAL REVIEW B, 62(3), 1713–1722.

By: J. Fattebert n & J. Bernholc n 

TL;DR: A multigrid preconditioner is used to improve the steepest descent directions used in the iterative minimization of the energy functional, and very accurate results can be obtained for localization regions with radii of 8 bohr. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1999 journal article

Finite difference schemes and block Rayleigh quotient iteration for electronic structure calculations on composite grids

JOURNAL OF COMPUTATIONAL PHYSICS, 149(1), 75–94.

By: J. Fattebert*

author keywords: Rayleigh quotient iteration; multigrid method; finite differences; mesh refinement; electronic structure calculations; Kohn-Sham equations
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Source: Web Of Science
Added: August 6, 2018

1999 article

Self-energy effects in the optical anisotropy of GaP(001)

Schmidt, W. G., Fattebert, J. L., Bernholc, J., & Bechstedt, F. (1999, December). SURFACE REVIEW AND LETTERS, Vol. 6, pp. 1159–1165.

By: W. Schmidt n, J. Fattebert n, J. Bernholc n  & F. Bechstedt *

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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1998 journal article

A Block Rayleigh Quotient iteration with local quadratic convergence

Electronic Transactions on Numerical Analysis (CD-ROM), 7(1998), 56–74.

By: J. Fattebert

Source: NC State University Libraries
Added: August 6, 2018

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