VMD-L Mailing List

From: Ignacio Fernández Galván (jellby_at_yahoo.com)
Date: Tue Feb 06 2007 - 03:50:06 CST

--- Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu> wrote:

> no problem here. for the sake of completeness, you can also consider
> SI units (although nobody i know really uses them unless forced by
> a journal).

And atomic units (elementary charge times Bohr radius).

According to the values in
<http://www.physics.nist.gov/cuu/Constants/index.html>:

1 e*Å = 4.80320440079 D
1 D = 1E-18 Fr*cm = 0.208194346224 e*Å

1 e*Å = 1.60217653 E-29 C*m
1 C*m = 6.24150947961 E+28 e*Å

1 e*Å = 1.88972613458 e*a0
1 e*a0 = 0.529177208115 e*Å

        
        
                
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