Frank E. Harris was awarded his A. B. (Chemistry) from Harvard University in 1951 and his Ph.D. (Physical Chemistry) from University of California in 1954. The author of 244 research publications and multiple books, Dr. Harris has been a Professor of Physics and Chemistry, University of Utah and Resident Adjunct Professor of Chemistry, Quantum Theory Project, University of Florida. He served on the Editorial Board of the International Journal of Quantum Chemistry, and has been named a Fellow for both the American Institute of Chemists and the American Physical Society.
Mathematical Preliminaries
This chapter presents mathematical concepts that are used throughout the book; much of this material should be already known to well-prepared students. Topics covered: Infinite series, rules for determining the convergence of series, the binomial expansion, vectors (including addition, multiplication by a scalar, dot product), complex numbers and functions, Euler’s formula (complex exponential), multiple-valued functions, partial, chain rule, conditions for extrema of functions of several variables, multiple integrals and their expression in different coordinate systems, and the Dirac delta function. Also included is the method of proof of theorems using mathematical induction.
Keywords: infinite series, binomial expansion, vectors, dot product, complex functions, multiple-valued functions, partial differentiation, multiple integrals, Dirac delta function, mathematical induction
This introductory chapter surveys a number of mathematical techniques that are needed throughout the book. Some of the topics (e.g., complex variables) are treated in more detail in later chapters, and the short survey of special functions in this chapter is supplemented by extensive later discussion of those of particular importance in physics (e.g., Bessel functions). A later chapter on miscellaneous mathematical topics deals with material requiring more background than is assumed at this point. The reader may note that the Additional Readings at the end of this chapter include a number of general references on mathematical methods, some of which are more advanced or comprehensive than the material to be found in this book.
1.1 Infinite Series
Perhaps the most widely used technique in the physicist’s toolbox is the use of infinite series (i.e., sums consisting formally of an infinite number of terms) to represent functions, to bring them to forms facilitating further analysis, or even as a prelude to numerical evaluation. The acquisition of skill in creating and manipulating series expansions is therefore an absolutely essential part of the training of one who seeks competence in the mathematical methods of physics, and it is therefore the first topic in this text. An important part of this skill set is the ability to recognize the functions represented by commonly encountered expansions, and it is also of importance to understand issues related to the convergence of infinite series.
Fundamental Concepts
The usual way of assigning a meaning to the sum of an infinite number of terms is by introducing the notion of partial sums. If we have an infinite sequence of terms u1, u2, u3, u4, u5,…,we define the i th partial sum as
i=∑n=1iun. (1.1)
This is a finite summation and offers no difficulties. If the partial sums si converge to a finite limit as →∞,
i→∞si=S, (1.2)
the infinite series n=1∞un is said to be convergent and to have the value S. Note that we define the infinite series as equal to S and that a necessary condition for convergence to a limit is that n→∞un=0. This condition, however, is not sufficient to guarantee convergence.
Sometimes it is convenient to apply the condition in Eq. (1.2) in a form called the Cauchy criterion, namely that for each >0 there is a fixed number N such that sj−si|<ε for all i and j greater than N. This means that the partial sums must cluster together as we move far out in the sequence.
Some series diverge, meaning that the sequence of partial sums approaches ∞; others may have partial sums that oscillate between two values, as for example,
n=1∞un=1−1+1−1+1−⋯−(−1)n+⋯.
This series does not converge to a limit, and can be called oscillatory. Often the term divergent is extended to include oscillatory series as well. It is important to be able to determine whether, or under what conditions, a series we would like to use is convergent.
Example 1.1.1
The Geometric Series
The geometric series, starting with u0 = 1 and with a ratio of successive terms =un+1∕un, has the form
+r+r2+r3+⋯+rn−1+⋯.
Its n th partial sum sn(that of the first n terms) is1
n=1−rn1−r. (1.3)
Restricting attention to r|<1, so that for large n, rn approaches zero, and sn possesses the limit
n→∞sn=11−r, (1.4)
showing that for r|<1, the geometric series converges. It clearly diverges (or is oscillatory) for r|≥1, as the individual terms do not then approach zero at large n.
1Multiply and divide n=∑m=0n−1rm by 1 − r.
Example 1.1.2
The Harmonic Series
As a second and more involved example, we consider the harmonic series
n=1∞1n=1+12+13+14+⋯+1n+⋯. (1.5)
The terms approach zero for large n, i.e., n→∞1∕n=0, but this is not sufficient to guarantee convergence. If we group the terms (without changing their order) as
+12+13+14+15+16+17+18+19+⋯+116+⋯,
each pair of parentheses encloses p terms of the form
p+1+1p+2+⋯+1p+p>p2p=12.
Forming partial sums by adding the parenthetical groups one by one, we obtain
1=1,s2=32,s3>42,s4>52,…,sn>n+12,
and we are forced to the conclusion that the harmonic series diverges.
Although the harmonic series diverges, its partial sums have relevance among other places in number theory, where n=∑m=1nm−1 are sometimes referred to as harmonic numbers.
We now turn to a more detailed study of the convergence and divergence of series, considering here series of positive terms. Series with terms of both signs are treated later.
Comparison Test
If term by term a series of terms un satisfies ≤un≤an, where the an form a convergent series, then the series nun is also convergent. Letting si and sj be partial sums of the u series, with j > i, the difference j−si is n=i+1jun, and this is smaller than the corresponding quantity for the a series, thereby proving convergence. A similar argument shows that if term by term a series of terms vn satisfies ≤bn≤vn, where the bn form a divergent series, then nvn is also divergent.
For the convergent series an we already have the geometric series, whereas the harmonic series will serve as the divergent comparison series bn. As other series are identified as either convergent or divergent, they may also be used as the known series for comparison tests.
Example 1.1.3
A Divergent Series
Test n=1∞n−p, p = 0.999, for convergence. Since −0.999>n−1 and n=n−1 forms the divergent harmonic series, the comparison test shows that nn−0.999 is divergent. Generalizing, nn−p is seen to be divergent for all p ≤ 1.
Cauchy Root Test
If an)1∕n≤r<1 for all sufficiently large n, with r independent of n, then nan is convergent. If an)1∕n≥1 for all sufficiently large n, then nan is divergent.
The language of this test emphasizes an important point: The convergence or divergence of a series depends entirely on what happens for large n. Relative to convergence, it is the behavior in the large-n limit that matters.
The first part of this test is verified easily by raising an)1∕n to the n th power. We get
n≤rn<1.
Since rn is just the n th term in a convergent geometric series, nan is convergent by the comparison test. Conversely, if an)1∕n≥1, then n≥1 and the series must diverge. This root test is particularly useful in establishing the properties of power series (Section 1.2).
D’Alembert (or Cauchy) Ratio Test
If...
Erscheint lt. Verlag | 26.12.2011 |
---|---|
Sprache | englisch |
Themenwelt | Mathematik / Informatik ► Mathematik ► Angewandte Mathematik |
Naturwissenschaften ► Physik / Astronomie | |
Technik | |
ISBN-10 | 0-12-384655-2 / 0123846552 |
ISBN-13 | 978-0-12-384655-6 / 9780123846556 |
Haben Sie eine Frage zum Produkt? |
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