Testing the kinetic energy functional: Kinetic energy density as a density functional

Eunji Sim; Joe Larkin; Kieron Burke; Charles W. Bock

doi:10.1063/1.1565316

Testing the kinetic energy functional: Kinetic energy density as a density functional

Eunji Sim, Joe Larkin, Kieron Burke, Charles W. Bock

Department of Chemistry

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

39 Citations (Scopus)

Abstract

A novel route to defining the energy density of the noninteracting kinetic energy density functional is presented. In particular, a method for studying and understanding the success and limitations of suggested approximations for T_s[n] is provided. The method is illustrated by comparing it to the traditional approach on both formal and physical grounds.

Original language	English
Pages (from-to)	8140-8148
Number of pages	9
Journal	Journal of Chemical Physics
Volume	118
Issue number	18
DOIs	https://doi.org/10.1063/1.1565316
Publication status	Published - 2003 May 8

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1063/1.1565316

Cite this

@article{7c374c45eb494023ae90262048bf3e96,

title = "Testing the kinetic energy functional: Kinetic energy density as a density functional",

abstract = "A novel route to defining the energy density of the noninteracting kinetic energy density functional is presented. In particular, a method for studying and understanding the success and limitations of suggested approximations for Ts[n] is provided. The method is illustrated by comparing it to the traditional approach on both formal and physical grounds.",

author = "Eunji Sim and Joe Larkin and Kieron Burke and Bock, {Charles W.}",

year = "2003",

month = may,

day = "8",

doi = "10.1063/1.1565316",

language = "English",

volume = "118",

pages = "8140--8148",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "18",

}

TY - JOUR

T1 - Testing the kinetic energy functional

T2 - Kinetic energy density as a density functional

AU - Sim, Eunji

AU - Larkin, Joe

AU - Burke, Kieron

AU - Bock, Charles W.

PY - 2003/5/8

Y1 - 2003/5/8

N2 - A novel route to defining the energy density of the noninteracting kinetic energy density functional is presented. In particular, a method for studying and understanding the success and limitations of suggested approximations for Ts[n] is provided. The method is illustrated by comparing it to the traditional approach on both formal and physical grounds.

AB - A novel route to defining the energy density of the noninteracting kinetic energy density functional is presented. In particular, a method for studying and understanding the success and limitations of suggested approximations for Ts[n] is provided. The method is illustrated by comparing it to the traditional approach on both formal and physical grounds.

UR - http://www.scopus.com/inward/record.url?scp=0038137447&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0038137447&partnerID=8YFLogxK

U2 - 10.1063/1.1565316

DO - 10.1063/1.1565316

M3 - Article

AN - SCOPUS:0038137447

SN - 0021-9606

VL - 118

SP - 8140

EP - 8148

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 18

ER -

Testing the kinetic energy functional: Kinetic energy density as a density functional

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this