The Chemistry Maths Book, Second Edition

(Grace) #1

142 Chapter 5Integration


EXAMPLE 5.10


(i) Find the even and odd components off(x) 1 = 1 e


x

, (ii) evaluate the definite integrals


off(x)and of its even and odd components over the rangex 1 = 1 − 1 tox 1 = 1 + 1.


(i) even:


odd:


These are the hyperbolic functionscosh 1 xandsinh 1 x(Equation (3.47) and Figure 3.22).


(ii)


Only the symmetric component makes a nonzero contribution to the integral off(x).


0 Exercises 40–47


The concept of the parity or symmetry of functions is widely used in the physical


sciences; the relevant branch of mathematics is called group theory. In molecular


chemistry, the point groups are used to describe, for example, the symmetry properties


of molecular wave functions and of the normal modes of vibration of molecules, and


are used to explain and predict the allowed transitions between energy levels that are


observed in molecular spectra. In solid-state chemistry, the space groups describe the


symmetry properties of lattices and the structure of X-ray diffraction spectra.


5.4 The integral calculus


Lety 1 = 1 f(x)be a function of x, continuous in the intervala 1 ≤ 1 x 1 ≤ 1 b, as in Figure 5.4.


We postulated in Section 5.3 that the ‘area under the curve’, the shaded region in


Figure 5.4, is given by the value of the definite integral off(x)from ato b. We now


look at how this result is derived.


To obtain an estimate of the area, we divide the interval ato binto nsubintervals by


choosingn 1 − 11 arbitrary points on the x-axis, with


a 1 = 1 x


0

1 < 1 x


1

1 < 1 x


2

1 <1-1< 1 x


n− 1

1 < 1 x


n

1 = 1 b (5.28)


and divide the area into nstrips by vertical lines at these points as shown in Figure 5.11.


ZZ



+



+



+

=−








=+


1

1

1

1

1

1

1


2


f x dx e e dx e e


xx x

()


−−







=


x

0


ZZ



+

+


+



+

=+








=−


1

1

1

1

1

1

1


2


f x dx e e dx e e


xx x

()


 −−−







=+


x

ee


1

ZZ



+


+


+


==








=+


1

1

1

1

1

1

1

fxdx edx e e e


xx

()


fx fx f x e e


xx



=−−








=−








() () ( )


1


2


1


2


fx fx f x e e


xx

+


=+−








=+








() () ( )


1


2


1


2

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