Quantum Mechanics and Atomistic Simulation

Part 1 · Oscillators and waves

1.6 Fourier series and the elementary wave

Source: Postorino, week 2 slides, pp. 1–5, and week 1 slides, pp. 24–27

Objectives

  1. Theorem. A periodic function is a sum of sines and cosines of the multiples of its frequency; the coefficients are integrals over one period.
  2. Recipe. Compute , (or ) for a given periodic function, using parity to skip half the work.
  3. Picture. Any wave is a sum of elementary waves ; study one, then add them up.
  4. Vocabulary. Wave vector, angular frequency, harmonics, orthogonality, dispersion relation .

Week 2, pp. 1–5, reworks week 1, pp. 24–27. This section follows week 2 and cites both.

Periodicity

Definition 1.6.1Wave vector and angular frequencyslides w2, p. 1
  • A function periodic in space with period , , has wave vector (vettore d’onda) .
  • A function periodic in time with period , , has angular frequency (pulsazione) .

counts radians of phase per unit length, radians per unit time. The ordinary frequency is .

The Fourier series

Theorem 1.6.2Fourier seriesslides w2, p. 1–2

A function of period and wave vector can be written as an infinite series of sines and cosines: In time, for of period and , the same with and :

The terms are the harmonics: waves whose wavelength is , , , … so that each repeats a whole number of times in one period.

Key observation 1.6.3The constant term is the meanslides w2, p. 2

Since and , the term is the mean over the period (valor medio sul periodo):

WarningSlide slip: the constant term

Week 2 writes with . Taken literally that counts the mean one and a half times: the term of the sum adds to the in front. Week 1 writes with and no , which is consistent. So is the form above: the sum starts at and uses the same formula as every other , so that is the mean. It also matches the table below (). Week 2’s intro line calls the time function while the formulas use : the same function.

Why the coefficients are these integralsbeyond the lectures

Over one period the functions , are orthogonal: with if and 0 otherwise. They follow from the product-to-sum formulas, e.g. , and the fact that a cosine of a non-zero whole number of periods integrates to zero.

Multiply the series by and integrate over a period. Every term dies except , so . The same with gives . Integrating the series itself kills every term except the constant: .

Recipe 1.6.4Computing a Fourier seriesbeyond the lectures
  1. Find the period (or ), and .
  2. Use parity: if is even, is odd and all ; if is odd, all , including the mean.
  3. Compute the remaining integrals over one period, splitting it where changes formula.
  4. Check is the mean, and that the partial sums look like .
Example 1.6.5The square wavebeyond the lectures

for , for , repeated.

  1. is odd, so for all , including the mean.
  2. .
  3. So for odd and 0 for even :

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Figure 1.6.1 The partial sum of a Fourier series, with harmonics, over the function it converges to. On the right, the bar chart of the coefficients and . Change the shape and add harmonics: a smooth function needs few, a jump needs many, and near a jump the partial sums overshoot by about 9 % however many you add (the Gibbs phenomenon).

A site for playing with Fourier series, given on the slides: falstad.com/fourier.

Complex form

Proposition 1.6.6Complex Fourier seriesslides w2, p. 2–3

Any interval of one full period gives the same integral, so and are interchangeable. One sum over positive and negative replaces the separate cosine and sine sums. Orthogonality becomes a single statement: beyond the lectures.

Proposition 1.6.7Real and complex coefficientsslides w2, p. 3
from from

If the function is real, the coefficients have conjugate symmetry: .

Proofbeyond the lectures

Use and (Exercise 1.2.2). Then Read off the coefficients of and . Adding the two gives ; subtracting gives , so . For real , and are real, so is the conjugate of .

From the series to elementary waves

The most general disturbance is (Theorem 1.5.3), with and practically arbitrary. Studying waves in general is very complicated, because those functions can be almost anything.

But if and are periodic, the Fourier series applies (the Fourier transform will relax this). Combining the general form of the solution, the superposition principle and the Fourier series, can be rewritten as an infinite sum of waves, the Fourier components, each a sine or cosine of , or of for . Each depends on and only through , so by Theorem 1.5.3 it solves the same wave equation. (Week 2 writes “ or ”; the second is meant to be .)

Key observation 1.6.8One component at a timeslides w2, p. 4

Without loss of generality, one can study what happens to a single sin/cos component, then add the components back up with the right Fourier coefficients.

The elementary wave

Definition 1.6.9Elementary waveEssentialslides w2, p. 5

The elementary wave is the building block of any (periodic) wave: or , or in complex form . Its wave vector and angular frequency are linked by the dispersion relation

Where it comes from. A Fourier component is . Setting the constant equal to the wave vector meets three necessary conditions:

  1. the argument of the sine is dimensionless: has dimensions ;
  2. the wave has spatial period ;
  3. the wave has time period .

So , which defines .

Proposition 1.6.10Speed of the elementary waveslides w2, p. 5

In one period the wave moves forward by exactly one wavelength.

In terms of and the elementary wave is : or shifts the argument by . The dispersion relation links the spatial and temporal periodicities; as the course will show, it also links energy to momentum (§5.5 Franck–Hertz, Stern–Gerlach and wave–particle duality).

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Figure 1.6.2 The elementary wave , with . Set , and , then press Play and follow the : after one period it has moved one wavelength. Recipe: two snapshots and a speed fix the wave.

N.B. Sine and cosine differ only by a phase, and the elementary wave is defined up to an arbitrary phase . From now on waves are written , or ; the complex form is the complex substitution applied to waves.

Key observation 1.6.11Why we see sinusoidal wavesslides w2, p. 5

We are used to seeing sinusoidal waves because resonance is usually present. Out of all the frequencies that make up a generic wave, resonance selects only a few, as on a vibrating string. Why is explained with the Dirac delta.

RemarkA missing phase on week 1

Week 1, p. 27, writes the elementary wave as , with an empty slot after the and a missing-glyph box. The slot is presumably , as week 2 has it.

Exercises

Exercise 1.6.1beyond the lectures

Show that solves the wave equation only if .

Solution

and . The equation needs , so : for a wave moving towards .

Exercise 1.6.2beyond the lectures

Give the complex coefficients of the square wave of Example 1.6.5.

Solution

for odd , , and for even (including , the zero mean).

Exercise 1.6.3beyond the lectures

Find the Fourier series of the triangle wave for , repeated.

Solution

is even: . Mean: . for odd , 0 for even (integrate by parts; ). So . The coefficients fall as , faster than the square wave’s : no jumps, quicker convergence.

Exercise 1.6.4beyond the lectures

Sound in air travels at 343 m/s. Find , and for the note A at 440 Hz.

Solution

m; m⁻¹; rad/s. Check: m/s.

Exercise 1.6.5beyond the lectures

Write as a single elementary wave .

Solution

It is , since . , so , rad .