behavior. However, (F) almost has a monotonic behavior, the calculated value for NF2 being 0.003 au too small. The same problem occurs for , with only the calculated NF2 value preventing a monotonic increase across the series.In summary, then, most of the theoretical properties follow one of two patterns: (a) a monotonic increase or decrease across the series or (b) a potential curve-like behavior with maximum or minimum at CF2. The simplest understanding of these two patterns may be in the fact that the electron distribution may appear to behave differently, depending on the expectation value through which we observe it. For example, inspection of the (1/>a) values in Table V implies that the average distance of electrons from nu-cleus A decreases monotonically across the series. This behavior might be interpreted to imply that the "size" of the molecules decreases monotonically from BeF2 to OF2. Thus, the (1/>A) description of the electron distribution is consistent with properties of type a above. However, the calculated values of (r1 2) with respect to the center of mass show a different pattern, in which the molecular "size" decreases from BeF2 to CF2, but then increases at NF2 and again at OF2. We see that this picture of the electron distribution is harmonious with those properties following pattern b described above. We conclude that a major factor in determining the two patterns of periodic behavior for BeF2 through OF2 is the ambiguity involved in the concept of molecular size.
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