Generating function for the Legendre Polynomials

The generating function for the Legendre polynomials is a mathematical tool that, when expanded as a power series, produces Legendre polynomials as its coefficients in terms of a variable.

Legendre polynomials often arise in problems involving spherical harmonics. An example (see diagram above) is the multipole expansion . As the two points and the angle between them form a triangle, the Legendre polynomials are related to the cosine rule , which can be rearranged to

where and .

Since , we have and hence . This implies that we can expand the RHS of eq343 as a binomial series:

The coefficients of are the Legendre polynomials. Therefore, the generating function for the Legendre polynomials is

 

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Recurrence relations of the Legendre Polynomials

The recurrence relations of the Legendre polynomials describe how each polynomial in the sequence can be obtained from its predecessors.

Some useful recurrence relations of the Legendre polynomials include

where .

To derive these relations, we differentiate eq345 with respect to and to give

and

respectively.

Substituting eq345 in eq346f yields

Equating the coefficents of gives

Substituting eq346e in eq346f results in . When we equate the coefficients of in this equation, we get eq346b. Combining eq346b and eq346g gives eq346a. Substracting eq346b from eq346a yields eq346c.

The last recurrence relation is obtained by substituting eq345 in eq346e to give . Expanding and equating coefficients of , we have eq346d.

 

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Rodrigues’ formula of the Legendre Polynomials

The Rodrigues’ formula for the Legendre polynomials is a mathematical expression that provides a method to calculate any Legendre polynomial using differentiation.

It is given by

with the first few Legendre polynomials being .

To derive eq348, let . The derivative of with respect to is or equivalently,

Using Leibniz’s theorem to differentiate eq349 by times with respect to gives

Comparing eq350 with eq332 reveals that is a solution to the Legendre differential equation. However, this solution does not produce the conventional Legendre polynomials of and so on.

 

Question

Prove by induction that for , and hence, .

Answer

For , we have . Assuming that is true, then,

So, holds for all . Similarly, . If we let , then .

 

To derive the factor in eq348, we again use Leibniz’s theorem to find the -th derivative of with respect to :

If we evaluate at , only the term in survives because the binomial theorem defines , resulting in

Since the conventional Legendre polynomials are defined by the condition , the solution to the Legendre differential equation in terms of must be , which is equivalent to eq348.

 

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Leibniz’s theorem

Leibniz’s theorem extends the product rule to determine higher-order derivatives of the product of two or more functions.

Consider the function , where and are times differentiable. Using the product rule, the first few derivatives are:

which suggests that the -th order derivative of can be expressed as the binomial expansion

where and are non-negative integers, and  are the -th order derivatives of and , respectively, and are the binomial coefficients.

Eq319a is known as Leibniz’s theorem, which can be proven by induction as follows:

For ,

If eq319a holds for all when , then for ,

Since (see this article for proof),

and the theorem holds for all and .

 

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Normalisation constant of the Legendre polynomials

The normalisation constant ensures that the Legendre polynomials are properly scaled, thereby maintaining the probabilistic interpretation of quantum states.

To determine the normalisation constant, we square both sides of the generating function of the Legendre polynomials and integrate the expression with respect to to give

 

Question

Why are the limits of integration from -1 to 1?

Answer

The Legendre polynomials are used to describe spherical harmonics, where and . Therefore, the Legendre polynomials are analysed within the interval of .

 

Expanding the RHS of eq355 and using the orthogonality of Legendre polynomials,

Substituting and integrating gives

Since , we can expand and as two Taylor series, where and , to yield

To satisfy the above equation for all , all coefficients must be zero. Therefore,

where we have changed the dummy index from to .

Using the orthogonal property of the Legendre polynomials, we can also express eq356 as

Normalising the Legendre polynomials to 1,

Substituting eq356 in the above equation, we have. With reference to eq342, the normalised Legendre polynomials are

where for the even series, for the odd series.

 

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Orthogonality of the Legendre polynomials

The orthogonality of the Legendre polynomials can be proven using the Legendre differential equation.

If and are solutions to eq332a, then

Multiplying eq351 and eq352 by and , respectively, and subtracting the results yields

The Legendre polynomials are used to describe spherical harmonics, where and . Therefore, the orthogonality of the Legendre polynomials is analysed within the interval of . Integrating eq353 with respect to gives

If , the factor  is not zero, and hence

 

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Generating function for the associated Legendre Polynomials

The generating function for the associated Legendre polynomials is a mathematical tool that, when expanded as a power series, produces associated Legendre polynomials as its coefficients in terms of a variable.

can be derived from the generating function for the Legendre polynomials. It begins with differentiating eq345 times using Leibniz’s theorem to give

Substituting eq363 in eq365 yields

The derivatives on the RHS have the following pattern:

Derivatives

Since

Eq366 is the generating function for the associated Legendre polynomials. It can also be expressed as:

which is obtained by letting .

 

Question

How do we use eq366 to generate and ?

Answer

For ,

Expanding using the binomial series gives

The polynomial corresponds to the coefficient of on the LHS of eq368. Comparing the coefficients of on both sides of eq368, . Using the same logic, .

 

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Recurrence relations of the associated Legendre Polynomials

The recurrence relations of the associated Legendre polynomials describe how each polynomial in the sequence can be obtained from its predecessors.

Some useful recurrence relations of the associated Legendre polynomials in quantum chemistry are:

To derive eq370, we differentiate eq366 with respect to and rearrange the result to give

Substituting eq366 in the RHS of the above equation yields

which can be rearranged to

Collecting coefficients with the same powers of ,

Comparing the equations, we have

which is eq370, where .

To derive eq371, we differentiate eq346c times with respect to to give . Multiplying through by  and substituting eq363a in the resultant equation gives eq371.

 

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Normalisation constant of the associated Legendre polynomials

The normalisation constant ensures that the associated Legendre polynomials are properly scaled, thereby maintaining the probabilistic interpretation of quantum states.

To determine the normalisation constant, we begin by replacing the index with in eq383 and expanding and using the binomial theorem to give:

Since and are polynomials of degrees and , respectively, only the and terms in the summations survive. Simplifying eq384 yields

 

Question

Evaluate .

Answer

Let and so .

To determine , consider . Let and . Then, and . Integrating by parts,

Multiplying through by and substituting eq386 yields

Changing the variable back to , where ,  and , gives

Eq387 is a recurrence relation, where


or equivalently

Substituting eq388 through eq390 in eq387 results in

is the product of odd numbers of . In other words, we can express as the ratio of to the product of even numbers of . The product of even numbers of is the product of the numerators of the RHS of eq388, which is equal to . Therefore, and

 

Substituting eq389 in eq385 and simplifying gives

Therefore, the normalisation constant of the associated Legendre polynomials is

With reference to eq364, the expression for the normalised associated Legendre polynomials is

 

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Legendre Polynomials

Legendre polynomials  are a sequence of orthogonal polynomials that are solutions to the Legendre differential equation:

which can also be expressed as

When , eq332 simplifies to a form that resembles the simple harmonic oscillator equation, which has a power series solution. This implies that we can use to solve eq332 around . Substituting , and  in eq332 yields

To simplify this equation, substitute and for the first sum and second sum, respectively, and then change the indices for both sums back to to give

To satisfy the above equation for all , all coefficients must be zero. Therefore, , which rearranges to

Eq333 is a recurrence relation. If we know the value of , we can use the relation to find . Similarly, if we know , we can find .

Comparing the recurrence relations for even ,

 

Question

Prove that eq334 is consistent with eq333 by induction.

Answer

For , eq334 becomes , which is consistent with eq333 when . Let’s assume eq334 is true for , i.e.,

is consistent with eq333 when .

We need to prove that eq334 holds for , i.e.,

is consistent with eq333 when .

Substituting eq334a in eq334b gives eq333 when .

 

Similarly, mathematical induction proves that the recurrence relations for odd can be expressed as

Hence the general form of the power series is:

To see how eq336 behave for large , we carry out the ratio test for the coefficients. With respect to eq333, the numerator for large . Hence , which implies that . This means that the coefficients will not vanish as increases. In fact, for large , the behaviour of  resembles the Taylor series expansion , which diverges at . Therefore, to ensure that is square-integrable, we need to truncate either one of the series after some finite terms and let all the coefficients of the other series be zero.

 

Question

Can we instead truncate both series of eq336 after some ?

Answer

Since the value of is arbitrary, the sum of two truncated series, each with finite terms, may still have an infinite number of terms. The only way to guarantee that  has finite terms is to truncate one of the series and let , if the odd series is truncated, or , if the even series is truncated, be zero.

 

To truncate either series, we let for the numerator of eq333 so that every successive term in the selected series is zero. The solution to eq332 then becomes two separate equations of eq366, each associated with one truncated series. To further show that these two equations can be combined into one, substitute in eq333 and rearrange it to give:

where for the even series and for the odd series.

Eq337 for some values of are presented in the table below. In contrast with the table above, the coefficients of eq337 are expressed in the reverse order.

Comparing the recurrence relations in the above table, we have

Since , we have . So, eq338 becomes

Substituting in eq339 yields

Since , we have . So eq340 becomes

By convention, the leading coefficient is selected as  (so that ), which when substituted in eq341 gives

Therefore, eq336 can be rewritten as

where for even , for odd  and are known as the Legendre polynomials.

The first few Legendre polynomials are:

 

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