The Chemistry Maths Book, Second Edition

(Grace) #1

306 Chapter 10Functions in 3 dimensions


EXAMPLE 10.11Evaluate∇


2

fforf(r, 1 θ, 1 φ) 1 = 1 re


−r 22

sin 1 θ 1 cos 1 φ.


Using the form (10.19a),


The functionfhas the factorized form


f(r, 1 θ, 1 φ) 1 = 1 (re


−r 22

)(sin 1 θ)(cos 1 φ) 1 = 1 R(r) 1 × 1 Θ(θ) 1 × 1 Φ(φ)


so that


and, therefore,


Now


Therefore,


∇= + −+






2

2

22

22 22

1


4


22 1


f


r


r
rr

cos sin


sin sin


θθ


θθ










=−








R


r


ΘΦ f


1


4


2


Φ


Φ


=cosφ; =−cos =−Φ( )


φ


φφ


d


d


2

2

Θ


Θ


=;








=



sin


sin


sin


cos sin


si


θ


θθ


θ


θ


1 θθ


22

d


d


d


d nn


cos sin


sin


()


θ


θθ


θ


= θ



22

2

Θ


Rre


r


d


dr


r


dR


dr


r


r


e


r

=;








=+−








−− 22

2

2

1


4


2


2


rr

r


r


Rr


22

2

1


4


22


=+−








()


∇=




















2

2

2

11


f


r


d


dr


r


dR


dr


d


d


ΘΦ


sin


si


θθ


nnθ


θ


φ


d


d


R


r


d


d


R


r


ΘΦ Φ Θ




























2

2

2 222

sin θ




=








f


Rr


d


φ d


φ


φ


() ()θ


()


Θ


Φ




=








f


Rr


d


θ d


θ


θ


() φ


()


()


Θ


Φ




=








f


r


dR r


dr


()


ΘΦ() ()θ φ


∇=






















2

2

2

2

11


f


r


r


r


f


r
r

f


sin


sin


θ


θ


θ


θ














1


22

2

2

r


f


sin θ φ

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