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On the proof of the principle of maximum hardness
28 April 1995
ELSEVIER
CHEWCAL PHYSICS LETTERS Chemical Physics Letters 236 (1995) 621
Erratum
On the proof of the principle of maximum hardness ( Chem. Phys. Letters 231 ( 1994) 40) * K.L. Sebastian Received 3 March 1995
The paper has the following omission/error: (1) The calculations reported for the sodium atom use a chemical potential p = 0, and for this choice of chemical potential (N) # A/,,. (2) The results given in Fig. 1 for the oxygen atom are numerically in error. Calculating ((N - ( N>13> on the right-hand side of Eq. (5) shows that the minimum is not at jI - p = 0. However, the minimum is so close to this value of ji that the correct curve, if plotted on the scale of the figure, would appear to have a minimum at this value of jL The above do not in any way aflect the main conclusions of the Letter. I wish to thank Professor R.G. Parr for bringing these points to my attention.
* SSDI of original article: 0009-2614(94)01210-5. 0009-2614/95/$09.50 0 1995 Elsevier Science B.V. AI1 rights reserved SSDI 0009-2614(95)00320-7
ELSEVIER
CHEWCAL PHYSICS LETTERS Chemical Physics Letters 236 (1995) 621
Erratum
On the proof of the principle of maximum hardness ( Chem. Phys. Letters 231 ( 1994) 40) * K.L. Sebastian Received 3 March 1995
The paper has the following omission/error: (1) The calculations reported for the sodium atom use a chemical potential p = 0, and for this choice of chemical potential (N) # A/,,. (2) The results given in Fig. 1 for the oxygen atom are numerically in error. Calculating ((N - ( N>13> on the right-hand side of Eq. (5) shows that the minimum is not at jI - p = 0. However, the minimum is so close to this value of ji that the correct curve, if plotted on the scale of the figure, would appear to have a minimum at this value of jL The above do not in any way aflect the main conclusions of the Letter. I wish to thank Professor R.G. Parr for bringing these points to my attention.
* SSDI of original article: 0009-2614(94)01210-5. 0009-2614/95/$09.50 0 1995 Elsevier Science B.V. AI1 rights reserved SSDI 0009-2614(95)00320-7