Efficient real-space solution of the Kohn-Sham equations with multiscale techniques

Jian Wang; Thomas L. Beck

doi:10.1063/1.481543

Efficient real-space solution of the Kohn-Sham equations with multiscale techniques

Jian Wang
, Thomas L. Beck

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

A high-order multigrid algorithm was developed to solve the self-consistent Kohn-Sham equations. The resulting algorithm utilizes the nonlinear full approximation scheme (FAS), full multigrid (FMG) eigenvalue technique, and new methods for the self-consistency portion of the problem.

Original language	English
Pages (from-to)	9223-9228
Number of pages	6
Journal	Journal of Chemical Physics
Volume	112
Issue number	21
DOIs	https://doi.org/10.1063/1.481543
State	Published - 2000
Externally published	Yes

Access to Document

10.1063/1.481543

Cite this

@article{6bb10aff9e934ead8d460aba2bee375b,

title = "Efficient real-space solution of the Kohn-Sham equations with multiscale techniques",

abstract = "A high-order multigrid algorithm was developed to solve the self-consistent Kohn-Sham equations. The resulting algorithm utilizes the nonlinear full approximation scheme (FAS), full multigrid (FMG) eigenvalue technique, and new methods for the self-consistency portion of the problem.",

author = "Jian Wang and Beck, \{Thomas L.\}",

year = "2000",

doi = "10.1063/1.481543",

language = "English",

volume = "112",

pages = "9223--9228",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "21",

}

TY - JOUR

T1 - Efficient real-space solution of the Kohn-Sham equations with multiscale techniques

AU - Wang, Jian

AU - Beck, Thomas L.

PY - 2000

Y1 - 2000

N2 - A high-order multigrid algorithm was developed to solve the self-consistent Kohn-Sham equations. The resulting algorithm utilizes the nonlinear full approximation scheme (FAS), full multigrid (FMG) eigenvalue technique, and new methods for the self-consistency portion of the problem.

AB - A high-order multigrid algorithm was developed to solve the self-consistent Kohn-Sham equations. The resulting algorithm utilizes the nonlinear full approximation scheme (FAS), full multigrid (FMG) eigenvalue technique, and new methods for the self-consistency portion of the problem.

UR - https://www.scopus.com/pages/publications/0033705706

U2 - 10.1063/1.481543

DO - 10.1063/1.481543

M3 - Article

AN - SCOPUS:0033705706

SN - 0021-9606

VL - 112

SP - 9223

EP - 9228

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 21

ER -

Efficient real-space solution of the Kohn-Sham equations with multiscale techniques

Abstract

Access to Document

Other files and links

Fingerprint

Cite this