Quantum Mechanics for

Scientists and Engineers

David Miller
Background mathematics 10
Linear equations and matrices
Linear equations and matrices
Suppose we have equations for two
straight lines
Note, if you are used to the form
we can rewrite this as
so these are equivalent
We can rewrite these equations as
the one matrix equation
or, with b
1
instead of x and b
2
instead of y
in summation form
11 12 1
12 22 2
A x A y c
A x A y c
+ =
+ =
y mx c = +
11 12 1 12
( / ) ( / ) y A A x c A = +
11 12 1
21 22 2

A A c x x
A
A A c y y
( ( ( (
= =
( ( ( (

2
1
mn n m
n
A b c
=
=

Linear equation solutions

With the linear equations in matrix
form
we can formally solve them if we
know the inverse
multiplying by
Since
we have the solution
the intersection point of
the lines
Solving linear equations and inverting
a matrix are the same operation
11 12 1
21 22 2

A A c x x
A
A A c y y
( ( ( (
= =
( ( ( (

1

1 1 1
2

c x
A A A
c y

( (
=
( (

1

A A I

=
1 1
2

c x
A
c y

( (
=
( (

( , ) x y
Determinant
If the determinant of a matrix is
not zero
then the matrix has an inverse
and if a matrix has an inverse,
the determinant of the matrix
is not zero
A nonzero determinant is a
necessary and sufficient
condition for a matrix to be
invertible
Determinant of a matrix
The determinant of a matrix is
written in one of two notations
There are two complete formulas
for calculating it
Leibnizs formula
Laplaces formula
and many numerical techniques
to calculate it
we will not give these general
formulas or methods here
( )
11 12 1
21 22 2
1 2

det
N
N
N N NN
A A A
A A A
A
A A A
=

A
Determinant of a 2x2 matrix
For a 2x2 matrix
we add the product on the leading
diagonal
and subtract the product on the other
diagonal
( )
11 12
11 22 12 21
21 22

det
A A
A A A A A
A A
= =
Determinant of a 3x3 matrix
For a 3x3 matrix, we have
( )
( )
( )
( )
11 22 33 23 32
11 12 13
21 22 23 12 21 33 23 31
31 32 33
13 21 32 22 31

det
A A A A A
A A A
A A A A A A A A A
A A A
A A A A A


= =
`

+
)
+ +
-
11
2
12 13
21 2 23
32 33 31
A
A A
A
A
A A
A
A
11 13
2
12
21 2 2
3 31 33 2
3
A
A A
A
A
A A
A
A
13
21 2
11 12
2 2
31 32
3
33
A
A A
A A
A A
A
A
General form of determinant
If we multiply out the 3x3 determinant expression
we see that each term, e.g., contains a
different element from each row
and the elements in each term are never from
the same column
but we always have one element from each
row and each column in each term
( )
( ) ( ) ( )
11 22 33 23 32 12 21 33 23 31 13 21 32 22 31
11 22 33 11 23 32 12 21 33 12 23 31 13 21 32 13 22 31

det A A A A A A A A A A A A A A A A
A A A A A A A A A A A A A A A A A A
= +
= + +
12 23 31
A A A
General form of the determinant
We see that this form
contains every possible term with one
element from each row
all from different columns
this is a general property of
determinants
( )
11 22 33 11 23 32 12 21 33 12 23 31 13 21 32 13 22 31

det A A A A A A A A A A A A A A A A A A A = + +
General form of the determinant
To understand how to construct a
determinant
it only remains to find the sign of the terms
To do so
count the number of adjacent row (or
column) swaps required
to get all the elements in the term onto
the leading diagonal
if that number is even, the sign is +
if that number is odd, the sign is -
Sign of determinant terms
For the term
we have to perform 1 row swap
1 is an odd number
so the sign of this term in the
determinant is negative
11 23 32
A A A
12 13
21 2
11
23 2
31 3 33 2
A
A A
A
A A
A A
A
11
32
23
12 13
31 33
21 22
A A
A A
A A
A
A
A
Sign of determinant terms
For the term
we have to perform 2 row swaps
2 is an even number
so the sign of this term in the
determinant is positive
This is actually Leibnizs determinant formula
12 23 31
A A A
11 13
21 2
12
23
31
2
32 33
A
A
A
A
A
A A
A
A
31
12
23
32 33
11 13
21 22
A A
A A
A A
A
A
A
11 13
32 33
1
21 2
2
1
2 2
3
3
A A
A A
A A
A
A
A
Background mathematics 10
Eigenvalues and eigenvectors
Matrix eigenequation
An equation of the form
where d is a vector, is a number, and is
a square matrix
is called an
eigenequation
with eigenvalue
and eigenvector d
If there are solutions
they may only exist for specific values of

Ad d =

A
Solving an eigenequation
We can rewrite as
where we have introduced the identity
matrix
which we can always do because
So
(strictly, the 0here is a vector with elements 0)
so, writing we have

Ad d =

Ad Id =

Id d =
( )

0 A I d =

B A I =

0 Bd =
Solving an eigenequation
Now, for to have any solutions for any
non-zero vector d
the matrix cannot have an inverse
if it did have an inverse
but any (finite) matrix multiplying a
zero vector must give a zero vector
so there is no non-zero solution d
Hence, by reductio ad absurdum,
has no inverse

0 Bd =

B
1

1 1

0 B Bd Id d B

= = =

B
Solving an eigenequation
The fact that has no inverse means
from the properties of the determinant
This equation will allow us to construct
a secular equation
whose solutions will give the
eigenvalues
From those we will deduce the
corresponding eigenvectors d

B A I =
( )

det 0 A I =
Solving an eigenequation
Suppose we want to find the eigenvalues and
eigenvectors
if they exist
of the matrix
So we write the determinant condition for
finding eigenvalues
( )
1.5 0.5 1 0

det det 0
0.5 1.5 0 1
i
A I
i

| |
( (
= =
|
( (

\ .
1.5 0.5

0.5 1.5
i
A
i

(
=
(

Solving an eigenequation
Now
So our secular equation becomes, from
i.e.,
1.5 0.5 1 0 1.5 0.5 0
det det
0.5 1.5 0 1 0.5 1.5 0
1.5 0.5
det
0.5 1.5
i i
i i
i
i

| | | |
( ( ( (
=
| |
( ( ( (

\ . \ .
| |
(
=
|
(

\ .
( ) ( ) ( )
2 2
1.5 (0.5) 0.5 1.5 0.25 0 i i = =
2
3 2 0 + =
( )

det 0 A I =
Solving an eigenequation
Solving this quadratic equation
gives roots
and
Now that we know the eigenvalues
we substitute them back into the
eigenequation
and deduce the corresponding
eigenvectors
2
3 2 0 + =
1
1 =
2
2 =
Solving an eigenequation
Our eigenequation is, explicitly
where now, for a given eigenvalue
we are trying to find d
1
and d
2
so we know the corresponding eigenvector
Rewriting gives

Ad d =
1 1
2 2
1.5 0.5
0.5 1.5
d d i
d d i

( ( (
=
( ( (

1
2
1.5 0.5 0
0.5 1.5 0
d i
d i

( ( (
=
( ( (

Solving an eigenequation
Now evaluating
for a specific eigenvalue
say, the first one,
gives
or, as linear equations
1
2
1.5 0.5 0
0.5 1.5 0
d i
d i

( ( (
=
( ( (

1
1 =
1
2
0.5 0.5 0
0.5 0.5 0
d i
d i

( ( (
=
( ( (

1 2
1 2
0.5 0.5 0
0.5 0.5 0
d id
id d
=
+ =
Solving an eigenequation
From either one of these equations
we can now deduce the eigenvector
Either equation gives us
We are free to choose one of the elements
say, choose
which gives the eigenvector v
1
Using and similar mathematics
gives the other eigenvector v
2
2 1
d id =
1
1 d =
1 2
0.5 0.5 0 d id =
1 2
0.5 0.5 0 id d + =
1
1
v
i
(
=
(

2
2 =
2
1
v
i
(
=
(

Solving eigenequations
For larger matrices with eigensolutions
e.g.,
we have correspondingly higher order
polynomial secular equations
which can have N eigenvalues and
eigenvectors
e.g., a matrix can have 3eigenvalues and
eigenvectors
Note eigenvectors can be multiplied by any
constant and still be eigenvectors
N N
3 3