Themes > Science > Physics > Molecular Physics > Molecular Spectra > Table of Contour Values

This table lists the values of the contours appearing in molecular density maps and bond density maps for those cases where the values are not given in the figure. In charge density maps the contours increase in value from the outermost one to the innermost one in the order indicated below. As an example, the reader may refer to Fig. 6-2, a contour map of the charge density for H2 with the contours labelled in the order indicated by the table. In the bond density difference maps the contour values increase (solid lines) or decrease (dashed lines) from the zero lines indicated on cach contour map.
Key to Charge Density Maps
Key to Density Difference or Bond Density Maps
     
Value of Contour
Contour number beginning with outermost one
Value of contour in au
Contour number (from zero contour)
increase (solid contour)
decrease (dashed contour)
1
0.002
1
+0.002
-0.002
2
0.004
2
+0.004
-0.004
3
0.008
3
+0.008
-0.008
4
0.02
4
+0.02
-0.02
5
0.04
5
+0.04
-0.04
6
0.08
6
+0.08
-0.08
7
0.2
7
+0.2
-0.2
8
0.4
8
+0.4
-0.4
9
0.8
9
+0.8
-0.8
10
2
      
11
4
      
12
8
      
13
20
      


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