Response to Comments on “Does the Hydrated Electron Occupy a Cavity?”-Reference-Cited by-同舟云学术

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

Published:2011-03-18 Issue:6023 Volume:331 Page:1387-1387
ISSN:0036-8075
Container-title:Science
language:en
Short-container-title:Science

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

Reference20 articles.

1. Does the Hydrated Electron Occupy a Cavity?

2. Turi L. Madarász A. Science 331 1387 (2011); www.sciencemag.org/cgi/content/full/331/6023/1387-c.

3. Jacobson L. D. Herbert J. M. Science 331 1387 (2011); www.sciencemag.org/cgi/content/full/331/6023/1387-d.

4. L. Szasz Pseudopotential Theory of Atoms and Molecules (Wiley New York 1985).

5. A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory

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