Correction to “Origin‐Dependence of Dipole Moments of Charged Proteins: Theoretical Foundations and Implications, Revisited”

Matar I. K. and Matta C. F.. “Origin‐Dependence of Dipole Moments of Charged Proteins: Theoretical Foundations and Implications, Revisited”. Journal of Computational Chemistry 46, no. 25 (2025): e70207,. 10.1002/jcc.70207.

In our article, a small number of typographical and mathematical errors appeared in the published version. These corrections do not affect any results, conclusions, numerical calculations, or interpretations presented in the paper.

1. In the discussion of atomic units of dipole moment on page 2, the exponent of 10 in the SI conversion factor was incorrectly printed as 10⁻²⁰ instead of the correct value 10⁻³⁰. The correct expression is, hence:

$$1\mathrm{a}.\mathrm{u}.=e{a}_0\approx 8.478\times {10}^{-30}\mathrm{C}\mathrm{m}\approx 2.5417\mathrm{D}$$

where $a_0$ is the Bohr radius.

• 2Equation (27) incorrectly included the electrostatic prefactor $1/\left(4\pi {\epsilon }_0\right)$ in the definition of the molecular dipole moment operator. The correct expression is:

$$\widehat{\overrightarrow{\mu }}=\sum _{\alpha }{Z}_{\alpha }e{\widehat{\overrightarrow{R}}}_{\alpha }-\sum _{i}e{\widehat{\overrightarrow{r}}}_i$$ (27)

• 3
  Two typographical errors are corrected as follows:

  • On p. 2, the sentence “In computational biochemistry, bioinformatics, and molecular biophysics, various conventions have been adopted to address this origin dependence; yet none appears to have been universally adopted (not “adapted”) especially for large flexible macromolecules with complex and dynamic charge distributions [15].”
  • On p. 9 “to avoid the (not “te”) gauge dependence ...”.

The authors apologize for these errors.