Abstract
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.
Original language  English 

Article number  079901 
Journal  Journal of Chemical Physics 
Volume  149 
Issue number  7 
DOIs 

Publication status  Published  2018 Aug 21 
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ASJC Scopus subject areas
 Physics and Astronomy(all)
 Physical and Theoretical Chemistry
Cite this
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.
In: Journal of Chemical Physics, Vol. 149, No. 7, 079901, 21.08.2018.Research output: Contribution to journal › Comment/debate
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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.
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U2  10.1063/1.5049687
DO  10.1063/1.5049687
M3  Comment/debate
C2  30134665
AN  SCOPUS:85052513763
VL  149
JO  Journal of Chemical Physics
JF  Journal of Chemical Physics
SN  00219606
IS  7
M1  079901
ER 