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).
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.
open access via citeseerx.ist.psu.edu (repository)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
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.
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.
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)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science; OpenAlex)
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.
author keywords: Rayleigh quotient iteration; multigrid method; finite differences; mesh refinement; electronic structure calculations; Kohn-Sham equations
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
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.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science; OpenAlex)
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.
Source: NC State University Libraries
Added: August 6, 2018
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