Contour surface plot

The first graphical representation using MATLAB software is that of a two-dimensional contour surface plot of the data from Table 75-1 [2], This Figure 75-3 plot can represent multiple levels of j-axis data (absorbance) by the use of contours and color schemes. The MATLAB commands for generating this image are given in Table 75-2 where A represents the raster data matrix shown in Table 75-1. 

Many graphics packages allow for contour diagrams and surface plots. These are given above for the square of the LCAO plus combination, for any plane containing the intemuclear axis. 

We need ways to visualize electrons as particle-waves delocalized in three-dimensional space. Orbital pictures provide maps of how an electron wave Is distributed In space. There are several ways to represent these three-dimensional maps. Each one shows some important orbital features, but none shows all of them. We use three different representations plots of electron density, pictures of electron density, and pictures of electron contour surfaces. 

Figures 5 and 6 show the response surfaces plotted for Property A and Property B, respectively. Note that two variables are plotted at once, with the values of the other variables fixed at levels chosen by the experimenter. The contours in the graph represent constant levels of the response. Fortunately, the computer allows rapid replotting for various levels of the fixed variables, as well as changing the identities of the fixed and floating variables, so that the entire design space can be investigated.

Fig. 7.4 Surface plot of the contour diagram given in Fig. 7.3, illustrating the concept of torsional sensitivity. The numerical values were taken from M. Cao and L. Schafer, J. Mol. Struct., 284 (1993) 235.

Table 75-4 MATLAB commands for generating a 2-D contour plot over a 3-D surface plot...

Figure 75-5 Two-dimensional contour plot overlay onto three-dimensional surface plot of data matrix A found in Table 75-1. (see Color Plate 24)...

The three quantum numbers may be said to control the size (n), shape (/), and orientation (m) of the orbital tfw Most important for orbital visualization are the angular shapes labeled by the azimuthal quantum number / s-type (spherical, / = 0), p-type ( dumbbell, / = 1), d-type ( cloverleaf, / = 2), and so forth. The shapes and orientations of basic s-type, p-type, and d-type hydrogenic orbitals are conventionally visualized as shown in Figs. 1.1 and 1.2. Figure 1.1 depicts a surface of each orbital, corresponding to a chosen electron density near the outer fringes of the orbital. However, a wave-like object intrinsically lacks any definite boundary, and surface plots obviously cannot depict the interesting variations of orbital amplitude under the surface. Such variations are better represented by radial or contour... 

Figure 1.2 (a) Lowest s- and p-type valence atomic orbitals of rare-gas atoms, showing radial profiles (left) and contour plots (right). (Each plot is 3 A wide, and only the four outermost contours are plotted see note 26.) (b) Similar to Fig. 1.2(a), for valence 4s, 4p, and 3d atomic orbitals of Kr, corresponding directly to the surface plots of Fig. 1.1. 

Fig. 14.7 Total valence electron charge density for the ideal Si(111) surface shown in Fig. 14.6. Charge contours are plotted in the (110) plane and normalized to one-electron charge per primitive cell. Shaded circles represent atomic cores.

A useful computer programme available as a supplement to regression is known as the response surface plot This programme calculates the values of the independent variables which combine to give a specific value of the response) and it plots contours of the specific values on coordinates made up of pairs of the independent variables. 

Response surface plot a graphical representation of the response surface as a contour map of the dependent variable on a coordinate scale of two of the independent variables. 

The m function runadiabNiso relies on adiabNiso3dplot, which combines our 2 = F(a, y) surface plot and a simplified version of the level-zero contour plot. 

Output 3D surface plot of the control equation surface with xero contours. 

Figure 5.1 Seasonable February morning in Maine. Lines of constant temperature (isotherms) allow plotting a two-dimensional function without using the third dimension. This is a contour map of t(x,y), giving the temperature t at all locations x,y). Along each contour line lie all points having the same temperature. A planar contour map of a function of two variables takes the form of contour lines on the plane. In contrast, a contour map of a function of three variables takes the form of contour surfaces in three dimensions (see Plate 2).

Figs, land 2 show contour and surface plots of the conventional detectors and the kernel-based detectors, on two different types of two-dimensional toy data sets a Gaussian mixture in Fig. 1 and nonlinearly mapped data in Fig. 2. In the contour and surface plots,... 

Fig.l. Contour and surface plots of the conventional matched signal detectors and their kernel versions on a toy dataset (a mixture of Gaussian). 

Select the desired quantities for contour plots and surface plots ... 

Step 7 You can change the plot to other formats. Choose Postprocessing/Plot Parameters. Click on the Surface and Contour boxes. Then click the Surface tab. The new window shows that the surface plot (the colors) will plot the temperature. Click on the Contour tab. The new window shows that the contours will be for temperature. Click OK to obtain Figure 11.2. 

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