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Excess electron localization sites in neutral water clusters
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10.1063/1.2213965
/content/aip/journal/jcp/125/1/10.1063/1.2213965
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/1/10.1063/1.2213965
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Correlation between the VDE of anions computed with a pseudopotential and ab initio method.

Image of FIG. 2.
FIG. 2.

Probability distributions of the ground state energy of the excess electron attached to (dot-dashed), 45 (dot), 104 (dash), and 500 (solid) neutral water clusters at and .

Image of FIG. 3.
FIG. 3.

The average ground state energy of the excess electron at (triangle) and (square).

Image of FIG. 4.
FIG. 4.

The average radius of gyration of the excess electron at (triangle) and (square). The dashed line shows the size of the nascent interior states in bulk water at .

Image of FIG. 5.
FIG. 5.

Correlation between the ground state energy and the size of the excess electron at and for , 104, and 500 clusters.

Image of FIG. 6.
FIG. 6.

Average ground state energy for different size clusters as the function of the inverse square of the size of the excess electron at (triangle) and (square).

Image of FIG. 7.
FIG. 7.

Average ground state energy of the excess electron for different size water clusters as the function of the average instantaneous dipole moment of the cluster at .

Image of FIG. 8.
FIG. 8.

Probability distribution of the orientation of the cluster dipole relative to the electron for (dot-dashed), 45 (dot), 104 (dash), and 500 (solid) neutral water clusters at and .

Image of FIG. 9.
FIG. 9.

Probability distribution of the energy gap of the excess electron in the completely relaxed anion (Ref. 26) (dashed) and in the initially formed anion (solid) for at .

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/content/aip/journal/jcp/125/1/10.1063/1.2213965
2006-07-05
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Excess electron localization sites in neutral water clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/1/10.1063/1.2213965
10.1063/1.2213965
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