Abstract
Tables I and II of our original paper5 did not contain the cA parameters necessary to distinguish between the different rows, and for this reason, we reproduce the tables including the cA column. Note that the cA parameter is the Gaussian width associated with the centerofmass (CM) pseudoparticle and is therefore proportional to the CM kinetic energy. For increasing cA values, the convergent H deteriorates, as the total energy H includes the CM kinetic energy (Table I). However, one should observe no effect on the translationfree (TF) energy HTF where the CM contributions are exactly subtracted. Furthermore, we introduced minor changes to the tables to enhance readability and comparability: (a) the digits shown in parentheses in Table II are now set in italics (to avoid confusion with error estimates) and (b) the TI (translationally invariant) subscript of expectation values is replaced by a TF (translationfree) subscript, which makes a better connection to earlier literature. (Table Presented).
Original language  English 

Article number  039901 
Journal  Journal of Chemical Physics 
Volume  151 
Issue number  3 
DOIs 

Publication status  Published  Jul 21 2019 
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ASJC Scopus subject areas
 Physics and Astronomy(all)
 Physical and Theoretical Chemistry
Cite this
Erratum : Generalized elimination of the global translation from explicitly correlated Gaussian functions (Journal of Chemical Physics (2018) (148) (084112) DOI: 10.1063/1.5009465). / Muolo, Andrea; Mat́yus, E.; Reiher, Markus.
In: Journal of Chemical Physics, Vol. 151, No. 3, 039901, 21.07.2019.Research output: Contribution to journal › Comment/debate
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TY  JOUR
T1  Erratum
T2  Generalized elimination of the global translation from explicitly correlated Gaussian functions (Journal of Chemical Physics (2018) (148) (084112) DOI: 10.1063/1.5009465)
AU  Muolo, Andrea
AU  Mat́yus, E.
AU  Reiher, Markus
PY  2019/7/21
Y1  2019/7/21
N2  Tables I and II of our original paper5 did not contain the cA parameters necessary to distinguish between the different rows, and for this reason, we reproduce the tables including the cA column. Note that the cA parameter is the Gaussian width associated with the centerofmass (CM) pseudoparticle and is therefore proportional to the CM kinetic energy. For increasing cA values, the convergent H deteriorates, as the total energy H includes the CM kinetic energy (Table I). However, one should observe no effect on the translationfree (TF) energy HTF where the CM contributions are exactly subtracted. Furthermore, we introduced minor changes to the tables to enhance readability and comparability: (a) the digits shown in parentheses in Table II are now set in italics (to avoid confusion with error estimates) and (b) the TI (translationally invariant) subscript of expectation values is replaced by a TF (translationfree) subscript, which makes a better connection to earlier literature. (Table Presented).
AB  Tables I and II of our original paper5 did not contain the cA parameters necessary to distinguish between the different rows, and for this reason, we reproduce the tables including the cA column. Note that the cA parameter is the Gaussian width associated with the centerofmass (CM) pseudoparticle and is therefore proportional to the CM kinetic energy. For increasing cA values, the convergent H deteriorates, as the total energy H includes the CM kinetic energy (Table I). However, one should observe no effect on the translationfree (TF) energy HTF where the CM contributions are exactly subtracted. Furthermore, we introduced minor changes to the tables to enhance readability and comparability: (a) the digits shown in parentheses in Table II are now set in italics (to avoid confusion with error estimates) and (b) the TI (translationally invariant) subscript of expectation values is replaced by a TF (translationfree) subscript, which makes a better connection to earlier literature. (Table Presented).
UR  http://www.scopus.com/inward/record.url?scp=85069218061&partnerID=8YFLogxK
UR  http://www.scopus.com/inward/citedby.url?scp=85069218061&partnerID=8YFLogxK
U2  10.1063/1.5113958
DO  10.1063/1.5113958
M3  Comment/debate
AN  SCOPUS:85069218061
VL  151
JO  Journal of Chemical Physics
JF  Journal of Chemical Physics
SN  00219606
IS  3
M1  039901
ER 