Re: CCL:Refractive Index
- From: David van der Spoel <spoel()at()xray.bmc.uu.se>
- Subject: Re: CCL:Refractive Index
- Date: Thu, 6 Apr 2000 08:03:41 +0200 (CEST)
On Thu, 6 Apr 2000, Ilfir R. Ramazanov wrote:
The refractive index can be computed from the frequency dependent
dielectric constant, which in turn can be computed from molecular
simulation. See my paper (and the 80 references therein):
()at()Article{Spoel98a,
author = {D. van der Spoel and P. J. van Maaren and H. J. C.
Berendsen},
title = {A systematic study of water models for molecular
simulation},
year = 1998,
journal = "J. Chem. Phys.",
volume = 108,
pages = {10220-10230}
}
an excellent review that covers this is Zhu et al.
()at()Article{Zhu94,
author = {S-B. Zhu and S. Singh and G. W. Robinson},
title = {Field-Perturbed Water},
journal = "Adv. Chem. Phys.",
year = 1994,
volume = 85,
pages = {627-731}
}
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel Biomedical center, Dept. of Biochemistry
s-mail: Husargatan 3, Box 576, 75123 Uppsala, Sweden
e-mail: spoel()at()xray.bmc.uu.se www: http://zorn.bmc.uu.se/~spoel
phone: 46 18 471 4205 fax: 46 18 511 755
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