1

Sequences
A sequence is:
1. A list of numbers
2. A function whose domain is the set of all
positive integers ie: a
n
=a(n)
n
a a a a a , .... , , , ,
4 3 2 1
Sequences and Series
1, 3, 5, 7, 9, 11, ..
-999, 807, 54, 1, -10, -50, .
1 + + 1/3 + + 1/5 + 1/6 +..
Example 1
n
a
n
1
=
1/5 1/3 1 a
n
5 4 3 2 1 n
More Examples
{ }
1
) 1 (

=
n
n
n
a
2
1
,....
9
1
,
4
1
, 1
n
Recursive Definition of a Sequence
n
n
n
a
a
a
a
1
2
2
1
1
+ =
=
+
577/408 17/12 3/2 2 a
n
4 3 2 1 n
The Limit of a Sequence
The limit, L, of the sequence {a
n
} is;
{ }
n
n
a L

= lim
If an n exists such that |L-a
n
| < for any >0.
A sequence may be convergent, divergent or
conditionally convergent
2
Limits - Examples
{ } 0 / 1 lim =

n
n
( )
0
1
lim =
)
`

n
n
n
Finding Limits
Sometimes the limit is not obvious:
)
`

+
+

1 2
2 10 5
lim
2
2
n
n n
n
For large n the n
2
term
dominates.. L=5/2
Series
A series is a summed list of numbers:
n n
a a a a a S + + + + + = ....
4 3 2 1

=
=
n
i
i n
a S
1
S
n
is a number the partial sum of n-terms of
the series. This is usually written:
Convergence of a Series
The infinite series,

=1 i
i
a
Is convergent if,

=

= =
n
i
i
n
n
n
L a S
1
lim lim
and divergent if the sequence of its partial
sums S
n
does not converge
The n
th
term test
The series,

=
n
i
i
a
1
Will converge if,
0 lim =

n
n
a
and will diverge otherwise.
Series in Chemistry
Many problems require series:
The partition function
Solutions of differential equations
Huckel theory / LCAO
Fourier analysis
Bond energy sums

=
1 i
kT
i
e Z

3
The Arithmetic Series
For example with a=1 and d=1;
| |

=
+ =
+ + + + + + + =
n
i
n
i d a
d n a d a d a a S
1
) 1 (
] ) 1 ( [ ... ] 2 [ ] [
6 5 4 3 2 1
6
+ + + + + = S
Summing The Arithmetic Series
This series is sufficiently simple for its partial
sum to be written in closed form:
| | d n a
n
S
n
) 1 ( 2
2
+ =
So the sum of the first n integers is:
) 1 (
2
1
... 3 2 1 + = + + + + = n n n S
n
Proof !
Just write the series out forward and backwards
a d n a d n a S
d n a d a a S
n
n
+ + + + + =
+ + + + + =
..... ] ) 2 ( [ ] ) 1 ( [
] ) 1 ( [ .... ] [
Add the two series term by term,
| |
| | d n a
n
S
d n a n S
d n a d n a d n a S
n
n
n
) 1 ( 2
2
) 1 ( 2 2
] ) 1 ( 2 [ ..... ] ) 1 ( 2 [ ] ) 1 ( 2 [ 2
+ =
+ =
+ + + + + + =
The Geometric Series

=
+ + + + =
n
i
i
n
n
ar
ar ar ar a S
1
1
1 2
...
For example with a=1 and r=2;
32 16 8 4 2 1
6
+ + + + + = S
Summing the Geometric Series
) 1 , ( ,
) 1 (
) 1 (
) 1 ( ) 1 (
...
...
1 2
1 2

=
=
=
+ + + + =
+ + + + =

r for
r
r
a S
r a r S
ar a rS S
ar ar ar ar rS
ar ar ar a S
n
n
n
n
n
n n
n n
n
n
n
GS is a Polynomial Expansion
Eg: for a=1;
) 1 (
) 1 (
...
1 2
r
r
a ar ar ar a
n
n

= + + + +

1 2
... 1
) 1 (
) 1 (

+ + + + =

n
n
r r r
r
r
4
The Infinite Geometric Series

=
+ + + =
1
1
2
.......
i
i
n
ar
ar ar a S
1 ,
1
1
) 1 (
) 1 (
lim lim <

=

r if
r
a
r
r
a S
n
n
n
n
Infinite GS: power series expansion
The geometric series with a=1 is the power
series expansion of (1-r)
-1
.
This series converges for |r|<1 and diverges
otherwise.
1 | | ....., 1
) 1 (
1
3 2
< + + + + =

r for r r r
r
The Convergence of Series
The convergence of a series is not always
immediately apparent from inspection ?
Example: The harmonic series looks at first
sight as if it should converge !
+ + + + =
4
1
3
1
2
1
1 S
The Harmonic Series
|

\
|
+ + + + + + + +
+ |

\
|
+ + + + |

\
|
+ + + =
16
1
15
1
14
1
13
1
12
1
11
1
10
1
9
1
8
1
7
1
6
1
5
1
4
1
3
1
2
1
1 S
n
s s s s S + + + + + + = ...
2
1
1
3 2 1
The Harmonic Series II
Each of the partial sums, s
n
, contains 2
n
terms
each of which has a smallest term 1/2
n+1
.
So, each s
n
> 2n.(1/2
n+1
) = 1/2.
So,
.....
2
1
2
1
2
1
2
1
2
1
2
1
1 + + + + + + + > S
which, diverges
The Alternating Harmonic Series
This series is conditionally convergent in short we
can make it converge to any answer we want
so what ?
( )

=
+

= + + =
1
1
1
...
5
1
4
1
3
1
2
1
1
n
n
n
E
5
Ionic Bonding !
The energy of a chain of ions of alternating charge
(q) separation a is;
Joules/ion
5
1
4
1
3
1
2
1
1
4
2
0
2
|

\
|
+ + =
a
q
E

+ - -
+ +
a
This is the alternating harmonic series.
So what is the energy of rocksalt Na
+
Cl
-
?
Conditional Convergence
The limit of the alternating harmonic series
depends on how we arrange the sum of the
terms, so
We can make it converge to any number - for
example 2.0000
Note: There are an infinite number of terms
and we can add them in any order however
we decide to do that we will never run out of
positive or negative terms.
Alternating Harmonic Series = 2.000
Strategy:
Sum just positive terms to get a sum > 2
Subtract a single negative term
Add more positive terms until > 2
Subtract a single negative term
Repeat for ever
Andit must converge to 2.
Alternating Harmonic Series = 2.000
009446048 . 2
69
1
.....
45
1
43
1
754063454 . 1
4
1
004063454 . 2
41
1
.....
21
1
19
1
17
1
521800422 . 1
2
1
021800422 . 2
15
1
....
5
1
3
1
1
= + + + +
=
= + + + + +
=
= + + + +
Etc
How odd is that ?
This may seem very strange.
But..
We have an infinite number of +ve and ve
terms it doesnt matter that we are using
more +ve ones than ve ones
The sum, and thus the energy of a rocksalt
crystal, converges to any number you want !!
The Energy of NaCl !!