University of Connecticut

DigitalCommons@UConn
Chemistry Education Materials Department of Chemistry

2-6-2007

The Laplacian in Spherical Polar Coordinates

Carl W. David
University of Connecticut, Carl.David@uconn.edu

Recommended Citation
David, Carl W., "The Laplacian in Spherical Polar Coordinates" (2007). Chemistry Education Materials. Paper 34.
http://digitalcommons.uconn.edu/chem_educ/34

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 The Laplacian in Spherical Polar Coördinates

C. W. David
Department of Chemistry
University of Connecticut
Storrs, Connecticut 06269-3060
(Dated: February 6, 2007)

I. SYNOPSIS and

In treating the Hydrogen Atom’s electron quantum me- z = r cos θ

chanically, we normally convert the Hamiltonian from its
Cartesian to its Spherical Polar form, since the problem is
and their inverses
variable separable in the latter’s coördinate system. This
reading treats the brute-force method of effecting the p
transformation of the kinetic energy operator, normally r= x2 + y 2 + z 2
called the Laplacian, from one to the other coördinate
systems.
z z
θ = cos−1 = cos−1 p
r x + y2 + z2
2
II. PRELIMINARY DEFINITIONS

We start with the primitive definitions and

y
x = r sin θ cos φ φ = tan−1
x

y = r sin θ sin φ and attempt to write (using the chain rule)

           
∂ ∂r ∂ ∂θ ∂ ∂φ ∂
= + +
∂x ∂x y,z ∂r θ,φ ∂x y,z ∂θ r,φ ∂x y,z ∂φ r,θ

and
           
∂ ∂r ∂ ∂θ ∂ ∂φ ∂
= + +
∂y ∂y x,z ∂r θ,φ ∂y x,z ∂θ r,φ ∂y x,z ∂φ r,θ

and
           
∂ ∂r ∂ ∂θ ∂ ∂φ ∂
= + +
∂z ∂z x,y ∂r θ,φ ∂z x,y ∂θ r,φ ∂z x,y ∂φ r,θ

 
III. PRELIMINARY PARTIAL DERIVATIVES ∂r
= cos θ (3.3)
∂z x,y
The needed (above) partial derivatives are:
 
∂r
= sin θ cos φ (3.1)
∂x y,z

 
∂r
= sin θ sin φ (3.2) and we have as a starting point for doing the θ terms,
∂y x,z

Typeset by REVTEX
    
dz 1 dz 1
d cos θ = − sin θdθ = +z·d = −z· dr
r r r r2
dz z 1
= − 2 (xdx + ydy + zdz) (3.4)
r r r

so that, for example (when dy = dz = 0) we have or

z x 
1

dy y
− sin θdθ = − dx dφ = − 2 dx
r2 r cos2 φ x x
which is

so, after multiplying across by cos2 φ leads to (at constant
r cos θ r2 1 − cos2 ϑ x)
− sin θdθ = − 2 sin θ cos φdx = dz
r r3
 
∂φ cos φ
so that = (3.8)
  ∂y x,z r sin θ
∂θ cos θ cos φ
= (3.5)
∂x y,z r and (at constant y)
 
∂φ sin φ
=−
 
∂θ cos θ sin φ (3.9)
= (3.6) ∂x y,z r sin θ
∂y x,z r

but, for the z-equation, we have  

∂φ
dz z 1 =0 (3.10)
− sin θdθ = − 2 zdz ∂z x,y
r r r
which is
IV. THE FIRST PARTIAL DERIVATIVE
1 z2 r2 − z 2
 
− sin θdθ = − 3 dz = dz TERMS
r r r3
Given these results (above) we write
 2
 2 2
1 z r sin θ
− sin θdθ = − 3 dz = dz ∂ ∂

sin θ

∂
r r r3 = cos θ − (4.1)
∂z ∂r r ∂θ
so one has
  and
∂θ sin θ
=− (3.7)
∂z x,y r ∂ ∂

cos θ sin φ

∂

cos φ

∂
= (sin θ sin φ) + +
∂y ∂r r ∂θ r sin θ ∂φ
Next, we have (as an example) (4.2)
sin φ y and
tan φ = = tan−1
cos φ x ∂ ∂
 
cos θ cos φ ∂

sin φ

∂
= (sin θ cos φ) + + −
and taking the partial derivatives on both sides, we ob- ∂x ∂r r ∂θ r sin θ ∂φ
tain (4.3)

1 sin φ
d(sin φ) + d(cos φ)
cos ϑ − cos2 φ
V. GATHERING TERMS TO FORM THE
so LAPLACIAN

sin2 φ
 
dy y
1+ dφ = − 2 dx From Equation 4.1 we form
cos2 φ x x
 ∂ sin θ ∂ ∂ sin θ ∂



∂2 − −
 
∂ cos θ ∂r r ∂θ sin θ ∂ cos θ ∂r r ∂θ
2
= cos θ − (5.1)
∂z ∂r r ∂θ

while from Equation 4.2 we obtain

h     i
∂ 2
∂
∂ sin θ sin φ ∂r + cos θrsin φ ∂θ
∂
+ rcos φ ∂
sin θ ∂φ ∂r
= (sin θ sin φ)
∂y 2 ∂r
h     i
∂ cos θ sin φ ∂ cos φ ∂
cos θ sin φ ∂ sin θ sin φ ∂r + ∂θ + r sin θ ∂φ
 
r
+
r ∂θ
h     i
  ∂ sin θ sin φ ∂ + cos θ sin φ ∂ + cos φ ∂
cos φ ∂r r ∂θ r sin θ ∂φ
+ (5.2)
r sin θ ∂φ

and from Equation 4.3 we obtain

h     i
∂ 2
∂
∂ sin θ cos φ ∂r + cos θrcos φ ∂θ
∂
− rsin φ ∂
sin θ ∂φ
= (sin θ cos φ)
∂x2 h  ∂r    i
  ∂ sin θ cos φ ∂ + cos θ cos φ ∂ − sin φ ∂
cos θ cos φ ∂r r ∂θ r sin θ ∂φ
+
r ∂θ
h     i
  ∂ sin θ cos φ ∂ + cos θ cos φ ∂ − sin φ ∂
sin φ ∂r r ∂θ r sin θ ∂φ
− (5.3)
r sin θ ∂φ

Expanding, we have

∂2 ∂2 cos θ sin θ ∂ sin θ cos θ ∂ 2

2
= cos2 θ 2 + 2
−
∂z ∂r r ∂θ r ∂r∂θ
    2 2
sin θ ∂ ∂ sin θ cos θ ∂ sin θ ∂
− − sin θ − cos θ − + (5.4)
r ∂r ∂θ r2 ∂θ r ∂θ2

while for the y-equation we have

∂2 ∂2
2
= sin2 θ sin2 φ 2 (5.5)
∂y ∂r
     2 
cos θ sin φ ∂ cos θ sin φ ∂
+ sin θ sin φ + + (5.6)
r2 ∂θ r ∂r∂θ
    2 
cos φ ∂ cos φ ∂
+ sin θ sin φ − 2 + (5.7)
r sin θ ∂φ r sin θ ∂r∂φ
∂2
  
cos θ sin φ ∂
+ cos θ sin φ + sin θ sin φ (5.8)
r ∂r ∂r∂θ
      2 
cos θ sin φ sin θ sin φ ∂ cos θ sin φ ∂
+ − + (5.9)
r r ∂θ r ∂θ2
      2 
cos θ sin φ cos φ cos θ ∂ cos φ ∂
+ − + (5.10)
r r sin2 θ ∂φ r sin θ ∂φ∂θ
∂2
  
cos φ ∂
+ sin θ cos φ + sin θ sin φ (5.11)
r sin θ ∂r ∂r∂φ
      2 
cos φ cos θ cos φ ∂ cos θ sin φ ∂
+ + + (5.12)
r sin θ r ∂θ r ∂θ∂φ
      2 
cos φ sin φ cos φ ∂ cos φ ∂
+ − + (5.13)
r sin θ r sin θ ∂φ r sin θ ∂φ2
and finally

∂2 ∂2
= (sin θ cos φ) sin θ cos φ
  ∂x2   2∂r
2

cos θ cos φ ∂ cos θ cos φ ∂

+ (sin θ cos φ) − + (5.14)
r2 ∂θ r ∂θ∂r
     2 
sin φ ∂ sin φ ∂
− (sin θ cos φ) − + (5.15)
r2 sin θ ∂φ r sin θ ∂φ∂r
∂2
  
cos θ cos φ ∂
+ cos θ cos φ + sin θ cos φ (5.16)
r ∂r ∂r∂θ
      2 
cos θ cos φ sin θ cos φ ∂ cos θ cos φ ∂
+ − + (5.17)
r r ∂θ r ∂θ2
      2 
cos θ cos φ sin φ ∂ sin φ ∂
+ + − (5.18)
r r sin2 θ ∂φ r sin θ ∂φ∂θ
∂2
  
sin φ ∂
− sin θ sin φ + sin θ cos φ (5.19)
r sin θ ∂r ∂r∂φ
      2 
sin φ cos θ sin φ ∂ cos θ cos φ ∂
− − + (5.20)
r sin θ r ∂θ r ∂θ∂φ
      2 
sin φ cos φ ∂ sin φ ∂
− − − (5.21)
r sin θ r sin θ ∂φ r sin θ ∂φ2

cos2 θ sin2 φ ∂
 
Now, one by one, we expand completely each of these
(5.8) → + (5.34)
three terms. We have r ∂r
∂2 ∂2 2 
∂2

2 cos θ sin θ sin φ
= cos θ (5.22) + (5.35)
∂z 2 ∂r2 r ∂r∂θ
cos θ sin θ ∂
sin θ cos θ sin2 φ ∂
 
+ (5.23)
r2 ∂θ − (5.36)
r2 ∂θ
sin θ cos θ ∂ 2 2 
− (5.24)
 2
cos θ sin φ ∂ 2
r ∂r∂θ (5.9) → + (5.37)
 2 
sin θ ∂ r2 ∂θ2
+ (5.25)  2
cos θ cos φ sin φ ∂

r ∂r − (5.38)

sin θ cos θ
 2
∂ r sin2 θ ∂φ
− (5.26) 
cos θ cos φ sin φ
 2
∂
r ∂r∂θ + (5.39)
sin θ cos θ ∂ r2 sin θ ∂φ∂θ
+ (5.27)  2 
cos φ ∂
r2 ∂θ (5.10) → + (5.40)
 2  2
sin θ ∂ r ∂r
+ (5.28)  2
r2 ∂θ2

cos φ sin φ ∂
+ (5.41)
and, for the y-equation: r ∂r∂φ
 2 
cos φ cos θ ∂
∂2 ∂2 + (5.42)
2
= sin2 θ sin2 φ 2 (5.29) r2 sin θ ∂θ
∂y ∂r   2
 2  cos θ cos φ sin φ ∂
sin θ cos θ sin φ ∂ (5.12) → + (5.43)
(5.6) → + (5.30) r2 sin θ ∂θ∂φ
r2 ∂θ  2 
2  cos φ sin φ ∂
∂2

cos θ sin θ sin φ (5.13) → − (5.44)
+ (5.31) r sin2 θ ∂φ
r ∂r∂θ
cos2 φ
  2
  ∂
sin φ cos φ ∂ + (5.45)
(5.7) → − (5.32) r2 sin2 θ ∂φ2
r2 ∂φ
  2
cos φ sin φ ∂
+ (5.33)
r ∂r∂φ
  2 
and finally, for the x-equation, we have sin φ ∂
(5.17) → − (5.57)
r ∂r
2 2
∂ ∂  2
= sin2 θ cos2 φ 2

(5.46) sin φ cos φ ∂
∂x 2 − (5.58)
∂r r ∂r∂φ
sin θ cos θ cos2 φ ∂

(5.14) → − (5.47) 
cos θ sin2 φ ∂

r2 ∂θ (5.19) → + (5.59)
 2
 2 r2 sin θ ∂θ
sin θ cos θ cos φ ∂
(5.14) → + (5.48) 
cos θ sin φ cos φ
 2
∂
r ∂θ∂r − (5.60)
  r2 sin θ ∂θ∂φ
cos φ sin φ ∂
(5.49)  
sin φ cos φ ∂
r2 ∂φ (5.20) → + (5.61)

sin φ cos φ
 2
∂ r sin2 θ ∂φ
− (5.50)  2
sin φ
 2
∂
r ∂φ∂r + (5.62)
2
 2
cos θ cos2 φ ∂
 r sin θ ∂φ2
2
(5.15) → + (5.51)
r ∂r
2
  2
sin θ cos θ cos φ ∂
+ (5.52) Gathering terms as coefficients of partial derivatives,
r ∂r∂θ
we obtain (from Equations 5.22, 5.29 and 5.46)
sin θ cos θ cos2 φ ∂
 
(5.15) → − (5.53)
r2 ∂θ
 2 2
 2
cos θ cos φ ∂ ∂2 ∂2
+ (5.54) cos 2
θ + sin2
θ sin2
φ + sin2
θ cos 2
φ


→
r2 ∂θ2 ∂r2 ∂r2
  
cos θ cos φ cos φ sin φ ∂
(5.16) → + (5.55)
r r sin θ ∂φ

sin φ cos φ cos θ
 2
∂ and (from Equations 5.23, 5.26, 5.30, 5.36, 5.42, 5.47,
− 2
(5.56) 5.53, and 5.59)
r sin θ ∂φ∂θ

cos θ sin θ sin θ cos θ sin θ cos θ sin2 φ sin θ cos θ sin2 φ cos2 φ cos θ

∂
+ + − − +
∂θ r2 r2 r2 r2 r2 sin θ
sin θ cos θ cos φ sin θ cos θ cos φ cos θ sin2 φ
2 2

− − +
r2 r2 r2 sin θ
cos θ ∂
→ 2 (5.63)
r sin θ ∂θ
while we obtain from Equations 5.28, 5.37, and 5.54:
∂ 2 sin2 θ cos2 θ sin2 φ cos2 θ cos2 φ 1 ∂2
 
+ + → (5.64)
∂θ2 r2 r2 r2 r2 ∂θ2
From Equations 5.25, 5.34, 5.40, 5.51, 5.57,
sin2 θ cos2 θ sin2 φ cos2 φ cos2 θ cos2 φ sin2 φ
 
∂ 2 ∂
+ + + + − → (5.65)
∂r r r r r r r ∂r
From Equations 5.32, 5.38, 5.44, 5.49, 5.55 and 5.61 we obtain
sin φ cos φ cos2 θ cos φ sin φ cos2 θ cos φ sin φ cos φ sin φ
  
∂ cos θ cos φ
− − − + +
∂φ r2 r sin2 θ r sin2 θ r2 r
2
  
cos θ cos φ sin φ sin φ cos φ
+ + →0 (5.66)
r2 sin θ r sin2 θ
From Equations 5.45 and 5.62 we obtain
∂2 cos2 φ sin2 φ
    2
1 ∂
+ → (5.67)
∂φ2 r2 sin2 θ r2 sin2 θ r2 sin2 θ ∂φ2
 The mixed derivatives yield, first, from Equations 5.33, 5.41, 5.50, and 5.58 leading to
∂2
 
cos φ sin φ cos φ sin φ sin φ cos φ sin φ cos φ
+ − − →0 (5.68)
∂r∂φ r r r r
From Equations 5.24, 5.27, 5.35, 5.31 5.52, 5.48
∂2 sin θ cos θ sin θ cos θ cos θ sin θ sin2 φ

− − +
∂r∂θ r r r
2 2 2

sin θ cos θ cos φ cos θ sin θ sin φ sin θ cos θ cos φ
+ + + →0 (5.69)
r r r
From Equations 5.39 5.43 5.56 5.60
∂2

cos θ cos φ sin φ cos φ sin φ
+ 2
∂φ∂θ r2 sin θ r sin θ
   
sin φ cos φ cos θ cos θ sin φ cos φ
− − →0 (5.70)
r2 sin θ r2 sin θ

Gathering together the non-vanishing terms, we obtain VI. MAPLE EQUIVALENT

∂2 2 ∂ 1 ∂2 cos θ ∂ 1 ∂2
2
+ + 2 2+ 2 + 2 2
∂r r ∂r r ∂θ r sin θ ∂θ r sin θ ∂φ2 A. Example 1

which is one of the two “classic” forms for ∇2 . The other

is
Here is a set of Maple instructions adjusted from the
2-dimensional code [1] for our 3-dimensional case, which
!
∂ ∂



1 ∂ r2 ∂r 1 ∂ sin θ ∂θ ∂2
+ 2 2 sin θ + will get you the same result:
r2 ∂r r sin θ ∂θ ∂φ2

restart;
f:=g(r,theta,phi);
tx :=
sin(theta)*cos(phi)*diff(f,r)+((cos(theta)*cos(phi))/r)*diff(f,theta)
-(sin(phi)/(r*sin(theta)))*diff(f,phi);
tx2:=expand(
sin(theta)*cos(phi)*diff(tx,r)+((cos(theta)*cos(phi))/r)*diff(tx,theta)
-(sin(phi)/(r*sin(theta)))*diff(tx,phi));
ty :=
sin(theta)*sin(phi)*diff(f,r)+((cos(theta)*sin(phi))/r)*diff(f,theta)
+(cos(phi)/(r*sin(theta)))*diff(f,phi);

ty2:=expand(sin(theta)*sin(phi)*diff(ty,r)+((cos(theta)*sin(phi))/r)
*diff(ty,theta)+(cos(phi)/(r*sin(theta)))*diff(ty,phi));
tz := cos(theta)*diff(f,r)
-(sin(theta)/r)*diff(f,theta);
tz2 := expand(cos(theta)*diff(tz,r)-(sin(theta)/r)*diff(tz,theta));

del := tx2+ty2+tz2:
del := algsubs( cos(theta)^2=1-sin(theta)^2, del ):
del := expand(algsubs( cos(phi)^2=1-sin(phi)^2, del ));

B. Example 2

Here is another version of the same thing:

> #CARTESIAN TO SPHERICAL POLAR
> restart;
> with(plots):
Warning, the name changecoords has been redefined
> uu:=u(sqrt(x^2+y^2+z^2),arccos(z/sqrt(x^2+y^2+z^2)),arctan(y,x));
p z
uu := u( x2 + y 2 + z 2 , arccos( p ), arctan(y, x))
x + y2 + z2
2
> ux:=diff(uu,x):
> uy:=diff(uu,y):
> uz:=diff(uu,z):
> uxx:=diff(ux,x):
> uyy:=diff(uy,y):
> uzz:=diff(uz,z):
> Lapu:=simplify(uxx+uyy+uzz):
> assume(r,positive);
> Lapu:=simplify(subs(x=r*sin(theta)*cos(phi),
> y=r*sin(theta)*sin(phi),
> z = r*cos(theta),
> arctan(sin(theta)*sin(phi),sin(theta)*cos(phi))=phi,
> arccos(cos(theta))=theta,
> Lapu),trig):
> Lapu := subs(arctan(sin(theta)*sin(phi),sin(theta)*cos(phi))=phi,
> arccos(cos(theta))=theta,
> Lapu):
> Lapu := algsubs(-1+cos(theta)^2=-sin(theta)^2,Lapu):
> Lapu:=expand(Lapu);
D2 (u)(r ˜, θ, φ) sin(θ)2 cos(θ) D2, 2 (u)(r ˜, θ, φ) D3, 3 (u)(r ˜, θ, φ)
Lapu := + +
r ˜2 (sin(θ)2 )(3/2) r ˜2 r ˜2 sin(θ)2
2 D1 (u)(r ˜, θ, φ)
+ + D1, 1 (u)(r ˜, θ, φ)
r˜

It takes some getting used to Maple notation to see that are better ways to carry out the transformation from
this is the expected result. Cartesian to Spherical Polar (and indeed any orthogo-
nal) coördinate system.

VII. COMMENTS

The reader should be aware that the brute force meth-

ods used here are primitive in the extreme, and that there

[1] Mathias Kawski, http://math.la.asu.edu/∼kawski/MAPLE/MAPLE.html