1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
A quantitative account of quantum effects in liquid water
Rent:
Rent this article for
USD
10.1063/1.2358137
/content/aip/journal/jcp/125/14/10.1063/1.2358137
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/14/10.1063/1.2358137

Figures

Image of FIG. 1.
FIG. 1.

Calculated quantum statistical mechanical ( beads per atom) and experimental RDFs for Oxygen-Oxygen, Oxygen-Hydrogen and Hydrogen-Hydrogen at . The error bars correspond to the experimental uncertainty. The classical RDFs are also indicated.

Image of FIG. 2.
FIG. 2.

Convergence of the intramolecular Oxygen-Hydrogen and Hydrogen-Hydrogen RDFs with the number of beads, , at . The classical and the experimental RDFs are also indicated.

Tables

Generic image for table
Table I.

Average total energy (kcal/mol) of the monomer, the liquid, and their corresponding difference, , with the two estimators and as a function of the number of beads, . The number in parentheses corresponds to the statistical uncertainty in the last digit(s). If not present, the statistical uncertainty is less than the last significant digit. The corresponding values of a classical simulation are also listed for comparison.

Loading

Article metrics loading...

/content/aip/journal/jcp/125/14/10.1063/1.2358137
2006-10-09
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A quantitative account of quantum effects in liquid water
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/14/10.1063/1.2358137
10.1063/1.2358137
SEARCH_EXPAND_ITEM