๐”– Bobbio Scriptorium
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Microscopic derivation of fluctuation formulas for calculating dielectric constants by simulation

โœ Scribed by J. W. Perram; E. R. Smith

Book ID
105035797
Publisher
Springer
Year
1987
Tongue
English
Weight
455 KB
Volume
46
Category
Article
ISSN
0022-4715

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๐Ÿ“œ SIMILAR VOLUMES

Accurate calculation of the dielectric c
Accurate calculation of the dielectric constant of water from simulations of a microscopic droplet in vacuum
โœ Thomas Simonson ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 400 KB

We present a successful calculation of the static dielectric constant of water based on simulations of microscopic droplets in vacuum. A 1.5 ns simulation of a 24 ~ radius sphere of TIP3P water gives ~ -82 + 5 at 292 K; a 2 ns simulation of a 14 sphere gives โ€ข ffi 82 + 5 at 294 K. Inclusion of all e