化学数学(一).pptVIP

The Mathematics for Chemists (I)  (Fall Term, 2004)(Fall Term, 2005)(Fall Term, 2006)Department of ChemistryNational Sun Yat-sen University Chapter 7 Orthogonal Expansions (Decompositions) Orthogonal Expansions Fourier Analysis (Transform) Assignment p.347: 9, 13 Old Story 1: Base Vectors Old Story 2: Vector Spaces Function sets as building blocks From Orthogonal Basis Vectors to Orthogonal Basis Functions Orthogonal expansion Orthonormal basis functions Completeness of orthogonal sets Expansion with Legendre Polynomials Two examples of using Legendre polynomials Proof 1 Proof 2 The expansion of electrostatic potential The potential of a distribution of charges The field of a dipole Fourier series Proof of orthogonality of triangular functions Periodicity Example of Fourier expansion Expansion up to 50th order Change of period (when period not equal to 2π) Example: Any period Example: the vibrating string (optional) Fourier Transforms Fourier Transforms (FT) The square wave (pulse) Pulse and its FT FT in exponential form Proof Fourier Transform Pairs Example Damped harmonic wave Decaying Oscillation In some sense, your eyes and ears are Fourier transformers.  f(x) l 0 x A -l -k k Since f(x) is even: Δy=2π/k 2π/10k f(x) l 0 x A -l -k k FT if exists. y a/π 0 FT Inverse FT Inverse FT Inverse FT FT FT y a/π 0 FT * 化學數學（一） Contents Covered in Chapter 15 如何用簡單函數（集）拼出一個任意函數。 一般“物質”分解為”元素”。 函數的積木遊戲 axi azk ayj Orthogonal basis: Nonorthogonal basis: a b c x1 x2 x3 … Orthonormal basis General orthogonal basis: Complex vectors:  P q O R r Rq θ P O R q1 θ1 θ2 R1 R2 q2 r1 r2 Total charge: Dipole moment: Quadrupole moment: +q θ -q O P R r/2 r/2 (Far field approximation) For m=n=0: For m=n0: For m≠n: π 3π -3π -2π -π 2π 0 x +1 f(x) π -π +1 0 x f(x) π 3π -3π -2π -π 2π 0 x +1 f(x) π -π 0 x +1 π -π +1 0 x S2 π -π +1 0 x S3 π -π +1 0 x S4 π -π +1 0 x S1 π -π +1 0 x S50 f(x) π -π 0 x +1