抄録
In the original publication of Ref. 1, there was an error of the formalism for APBEK and revAPBEK functionals.2,3 The corrected form of the enhancement factor F is shown as follows:.(Formula presented). The s value in Eq. (S23) defined in the supplementary material of the original article should be replaced by the square value s2. The parts of the results of Tables II and III in Ref. 1 were also corrected in Tables I and II. The deviations of the corrected APBEK and revAPBEK from KS are smaller than the corresponding ones in the original article. Note that APBEK and revAPBEK give the smallest mean absolute deviations (MADs) in Category 5 for molecular and atomic systems, respectively. The conclusions of our article remain unaffected by the corrections. (Table Presented). See supplementary material for the deviations of the corrected APBEK and revAPBEK from KS in kinetic energies (KEs) and kinetic energy densities (KEDs) of ten atomic and eight testing molecular systems. We acknowledge Dr. Fabio Della Sala for pointing out these errors.
元の言語  English 

記事番号  079901 
ジャーナル  Journal of Chemical Physics 
巻  149 
発行部数  7 
DOI 

出版物ステータス  Published  2018 8 21 
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ASJC Scopus subject areas
 Physics and Astronomy(all)
 Physical and Theoretical Chemistry
これを引用
Erratum : Semilocal machinelearned kinetic energy density functional with thirdorder gradients of electron density (Journal of Chemical Physics (2018) 148 (241705) DOI: 10.1063/1.5007230). / Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi.
：: Journal of Chemical Physics, 巻 149, 番号 7, 079901, 21.08.2018.研究成果: Comment/debate
}
TY  JOUR
T1  Erratum
T2  Semilocal machinelearned kinetic energy density functional with thirdorder gradients of electron density (Journal of Chemical Physics (2018) 148 (241705) DOI: 10.1063/1.5007230)
AU  Seino, Junji
AU  Kageyama, Ryo
AU  Fujinami, Mikito
AU  Ikabata, Yasuhiro
AU  Nakai, Hiromi
PY  2018/8/21
Y1  2018/8/21
N2  In the original publication of Ref. 1, there was an error of the formalism for APBEK and revAPBEK functionals.2,3 The corrected form of the enhancement factor F is shown as follows:.(Formula presented). The s value in Eq. (S23) defined in the supplementary material of the original article should be replaced by the square value s2. The parts of the results of Tables II and III in Ref. 1 were also corrected in Tables I and II. The deviations of the corrected APBEK and revAPBEK from KS are smaller than the corresponding ones in the original article. Note that APBEK and revAPBEK give the smallest mean absolute deviations (MADs) in Category 5 for molecular and atomic systems, respectively. The conclusions of our article remain unaffected by the corrections. (Table Presented). See supplementary material for the deviations of the corrected APBEK and revAPBEK from KS in kinetic energies (KEs) and kinetic energy densities (KEDs) of ten atomic and eight testing molecular systems. We acknowledge Dr. Fabio Della Sala for pointing out these errors.
AB  In the original publication of Ref. 1, there was an error of the formalism for APBEK and revAPBEK functionals.2,3 The corrected form of the enhancement factor F is shown as follows:.(Formula presented). The s value in Eq. (S23) defined in the supplementary material of the original article should be replaced by the square value s2. The parts of the results of Tables II and III in Ref. 1 were also corrected in Tables I and II. The deviations of the corrected APBEK and revAPBEK from KS are smaller than the corresponding ones in the original article. Note that APBEK and revAPBEK give the smallest mean absolute deviations (MADs) in Category 5 for molecular and atomic systems, respectively. The conclusions of our article remain unaffected by the corrections. (Table Presented). See supplementary material for the deviations of the corrected APBEK and revAPBEK from KS in kinetic energies (KEs) and kinetic energy densities (KEDs) of ten atomic and eight testing molecular systems. We acknowledge Dr. Fabio Della Sala for pointing out these errors.
UR  http://www.scopus.com/inward/record.url?scp=85052513763&partnerID=8YFLogxK
UR  http://www.scopus.com/inward/citedby.url?scp=85052513763&partnerID=8YFLogxK
U2  10.1063/1.5049687
DO  10.1063/1.5049687
M3  Comment/debate
VL  149
JO  Journal of Chemical Physics
JF  Journal of Chemical Physics
SN  00219606
IS  7
M1  079901
ER 