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Journal of Physics D: Applied Physics Volume 33 Number 8 Create an alert RSS this journal

James R Chelikowsky 2000 J. Phys. D: Appl. Phys. 33 R33 doi:10.1088/0022-3727/33/8/201

The pseudopotential-density functional method applied to nanostructures

REVIEW ARTICLE

James R Chelikowsky

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Abstract References Cited By

REVIEW ARTICLE

In this review, I will describe the combination of pseudopotentials and density functional theory to determine the electronic structure of matter. This combination, called the pseudopotential-density functional method (PDFM), represents the most popular technique for examining a wide range of structural and electronic properties. I will illustrate applications of the PDFM to problems of current interest: nanostructures and other complex confined systems.


PACS

71.15.Dx Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)

61.46.-w Structure of nanoscale materials

73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals

71.15.Mb Density functional theory, local density approximation, gradient and other corrections

01.30.Rr Surveys and tutorial papers; resource letters

Subjects

Condensed matter: electrical, magnetic and optical

Education and communication

Nanoscale science and low-D systems

Dates

Issue 8 (21 April 2000)

Received 25 January 2000



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