dm qm background mathematics lecture 10
TRANSCRIPT
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Quantum Mechanics for
Scientists and Engineers
David Miller
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Background mathematics 10
Linear equations and matrices
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Linear equations and matrices
Suppose we have equations for two
straight linesNote, if you are used to the form
we can rewrite this as
so these are equivalentWe can rewrite these equations as
the one matrix equation
or, with b1 instead of x and b2instead 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 cx xAA A cy y
2
1
mn n m
n
A b c
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Linear equation solutions
With the linear equations in matrix
formwe can formally solve them if weknow the inverse
multiplying by
Sincewe have the solution
the intersection point of
the linesSolving linear equations and invertinga matrix are the same operation
11 12 1
21 22 2
A A cx x
A A A cy y
1A
1A 11 1
2
cxA A Acy
1 A I
11
2
cx Acy
( , )x y
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Determinant
If the determinant of a matrix is
not zerothen the matrix has an inverse
and if a matrix has an inverse,
the determinant of the matrixis not zero
A nonzero determinant is a
necessary and sufficient
condition for a matrix to beinvertible
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Determinant of a matrix
The determinant of a matrix is
written in one of two notations
There are two complete formulasfor calculating it
Leibnizs formulaLaplaces formula
and many numerical techniquesto calculate it
we will not give these generalformulas or methods here
11 12 1
21 22 2
1 2
det
N
N
N N NN
A A
A A AA
A A A
A
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Determinant of a 2x2 matrix
For a 2x2 matrix
we add the product on the leadingdiagonal
and subtract the product on the otherdiagonal
11 12 11 22 12 2121 22
detA A
A A A A AA A
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Determinant of a 3x3 matrix
For a 3x3 matrix, we have
11 22 33 23 3211 12 13
21 22 23 12 21 33 23 31
31 32 3313 21 32 22 31
det
A A A A AA 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 3331
A
A
A
A
A A
A
A
11 13
2
12
21 22
331 332
3
A
A A
A
A
A A
A
A
13
21 2
11 12
22
31 32
3
33
A
A A
A A
A A
A
A
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General form of determinant
If we multiply out the 3x3 determinant expression
we see that each term, e.g., contains adifferent element from each row
and the elements in each term are never fromthe same column
but we always have one element from eachrow and each column in each term
11 22 33 23 32 12 21 33 23 31 13 21 32 22 3111 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 31A A A
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General form of the determinant
We see that this form
contains every possible term with one
element from each rowall from different columns
this is a general property ofdeterminants
11 22 33 11 23 32 12 21 33 12 23 31 13 21 32 13 22 31det A A A A A A A A A A A A A A A A A A A
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General form of the determinant
To understand how to construct a
determinantit only remains to find the sign of the terms
To do so
count the number of adjacent row (orcolumn) swaps required
to get all the elements in the term ontothe leading diagonal
if that number is even, the sign is +if that number is odd, the sign is -
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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 32A A A
12 13
21 2
11
232
31 3 332
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
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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 31A A A
11 13
21 2
12
23
31
2
32 33
A
A
A
A
A
A
A 31
12
23
32 33
11 13
21 22
A
A
A A
A
A
A
11 13
32 33
1
21 2
2
1
22
3
3
A A
A A
A A
A
A
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Background mathematics 10
Eigenvalues and eigenvectors
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Matrix eigenequation
An equation of the form
where d is a vector, is a number, and isa square matrix
is called aneigenequation
with eigenvalue
and eigenvector d
If there are solutions
they may only exist for specific values of
Ad dA
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Solving an eigenequation
We can rewrite as
where we have introduced the identitymatrix
which we can always do becauseSo
(strictly, the 0 here is a vector with elements 0)
so, writing we have
d d
Ad Id
I
Id d
0A I d
B A I 0Bd
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Solving an eigenequation
Now, for to have any solutions for any
non-zero vector dthe matrix cannot have an inverse
if it did have an inverse
but any (finite) matrix multiplying azero vector must give a zero vector
so there is no non-zero solution d
Hence, by reductio ad absurdum,has no inverse
0Bd
B1B
1 1 0B Bd Id d B
B
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Solving an eigenequation
The fact that has no inverse means
from the properties of the determinant
This equation will allow us to constructa secular equation
whose solutions will give theeigenvalues
From those we will deduce thecorresponding eigenvectors d
B A I
det 0A I
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Solving an eigenequation
Suppose we want to find the eigenvalues and
eigenvectorsif they exist
of the matrix
So we write the determinant condition forfinding eigenvalues
1.5 0.5 1 0
det det 00.5 1.5 0 1
i
A I i
1.5 0.50.5 1.5
iA
i
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Solving an eigenequation
Now
So our secular equation becomes, from
i.e.,
1.5 0.5 1 0 1.5 0.5 0det 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 0i i
2 3 2 0
det 0A I
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Solving an eigenequation
Solving this quadratic equation
gives rootsand
Now that we know the eigenvalues
we substitute them back into theeigenequation
and deduce the correspondingeigenvectors
2 3 2 0
1 1 2 2
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Solving an eigenequation
Our eigenequation is, explicitly
where now, for a given eigenvalue
we are trying to find d1 and d2so we know the corresponding eigenvector
Rewriting gives
Ad d
1 1
2 2
1.5 0.5
0.5 1.5
d di
d di
1
2
1.5 0.5 00.5 1.5 0
didi
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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
di
di
1 1
1
2
0.5 0.5 0
0.5 0.5 0
di
di
1 2
1 2
0.5 0.5 00.5 0.5 0
d id
id d
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Solving eigenequations
For larger matrices with eigensolutions
e.g.,we have correspondingly higher order
polynomial secular equations
which can have Neigenvalues andeigenvectors
e.g., a matrix can have 3 eigenvalues andeigenvectors
Note eigenvectors can be multiplied by anyconstant and still be eigenvectors
N N
3 3
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