Response to Comments on “Does the Hydrated Electron Occupy a Cavity?”

Author:

Larsen Ross E.1,Glover William J.2,Schwartz Benjamin J.3

Affiliation:

1. Center for Scientific Computing, National Renewable Energy Laboratory, Golden, CO 80401–3305, USA.

2. Department of Chemistry, Stanford University, Stanford, CA 94305–5080, USA.

3. Department of Chemistry and Biochemistry, University of California–Los Angeles, Los Angeles, CA 90095–1569, USA.

Abstract

Turi and Madarász and Jacobson and Herbert argue that the pseudopotential we derived for the hydrated electron contains inaccuracies that make it overly attractive. We show that our potential is derived correctly and argue that the criticisms presented are not relevant when evaluating a pseudopotential’s accuracy for condensed-phase simulation. Neither critique addresses our central result that the experimental properties of the hydrated electron are consistent with a noncavity picture.

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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