204 | y > shall become [evar Sas in the new notation. Similarly, the matrix elements of the operator A will be expressed as a= | wea yeem . a Also since < Plyr>a< oy ia sf pce, | Sa other, a sense that, for any complex number A, ON a lee Aly>=|Ap> oOLATION OF QUANTI wt FORMUI UM THEORY 509 Ateyle 5) pst vi= and < W | are called, respectively, the ket and bra vectors. 119. CHANGE OF BASIS, SIMILARITY AND UNITARY TRANSFORMATION: change of Basis ‘There can be a number of representations of quantum mechanical operators and wavefunctions, depending on the choice of complete set of basis functions, When the matrices of operator A are known in one representation, sometimes it is required to change it in some other more convenient fhonormal set_of functions. An example of such a change is from r-representation 10 representation, To treat such a general change of representation, let us consider transformations from one complete orthogonal set of basis vector 1, Y, Py Vom + Ym 10 another set oF basis vector ond 3 bp Per Expansion postulate of quantum theory states that itis possible to expand ym in terms of Set fp with the help of a matrix Uie., Ym =2Upm dp 1) Here Upm are expansion coefficients when yp is expressed in terms of fy. Thus U is a malris expressing relation between two sets of basis-functions. Therefore, it is called the transformation matrix. Unitary and Similarity Transformations In terms of this matrix, we obtain relation between the matrix elements of an oepator in the "0 representations of basis functions. “The operator A in representation can be expressed as (Amn = S¥m* AV at = wa(2) With respect to new basis functious pp, the operator A is expressed as Apa = Sp "A Gade =

..Q) Ouraim is o find a relation between the two matrix elements, (A)yn and (Ap q Substituting eq, (1) ineg. (2), we get ‘ Amn = S2Upm" bp AZ Uan batt | = LEU pm? US by *A Pg 441 Yan pq SEL ym" Apq Yan (4) Pa wherein f gp *A gg dr are matrix element (A')p q- Here we have used A’ instead of A, since in this Tepresentation matrix operator will have @ different form. R.H.S. of eq, (4) becomes the mnth element of a matrix product, i the indices mandp are interchanged in U*. Therefore, Om = (U*) mp! =U tm) ip where U tis the hermitian-conjugate of U. és Ann = EE Up" Apa Yan Pa or A=uTA'U -f5); QUANTUM iy 510 ‘Thus the matrix U expresses the relation between the matrix enema acid oft < ‘operator in the two systems of basis functions. This type of transform: eae compe, is known as unitary transformation. We shall now prove that the matrix U Is ry. Since both y and ¢ constitute orthonormal sets, “4° dt = ZEUpm* Un S $p* bydr Smn = S¥m Yas = SE Upm eee gS ae = tUpn = (Ut mn = EE U mp" Ugn pq = ZZ Ump' Upn = (U1 Y) Pa va Equation (6) shows that “6 utu=! ‘Thus we prove that U is a unitiary matrix, Ut = U~ } This mansformation is unitary, also known as canonical matrix transformation. Whe transformation is in real space, then such type of transformation is called similarity transforma this case U is replaced by S, known as orthogonal matrix (S7 = S~!), init matrix. the | iON, Iq 11.10. SCHROEDINGER EQUATION AND THE EIGENVALUE PROBLEM : ENEGY REPRESENTATION We shall show that the problem of solving Schroedinger equation is the eigenvalue problem fo the Hamiltonian matrix in some arbitrary representation. Let us suppose that the igenfunctions of the Hamiltonian operator are | y, >, y2 >, | yy > and the energy eigenvalues an Ey Ey Ey: Fon > =Eq | Yn >- ~(l) ‘The Hamiltonian operator in this representation is diagonal ; Ham = =Em = Em 3n ms -Q) ! ¥q >s constitute an orthonormal st of basis functions. The diagonal elements are thus just the 8 eeemalues. The representation, in which Hamiltonian matrix is diagonal, is called the energy ‘representation : zy o 00 eae ae | ] De Ace @) OP ees {n some other representation, provided by the basis vectors Constitute a matrix which we denote by H’. We wish to find outa w transforms the basis vectors | Yq! > (0 = 1,2, uN) 10 | Yq > : Ul Yn > =I yy >. Then according to eq, (119-5), the same unitary matrix U will transform H transformation I¥n' >, the matrix elements of H initary transformation matrix U which to H through the UtH'U=H or HUS=UH.ax FORMULATION OF QUANTUM THEORY wal aus consider, say, the ikth element of both sides sn Ai Ujyp= Wem 2 Uy Hy zy, Eby, sng eq. (2)- We obtain further ae Hi Uys 1 Ue Ey Uy = ZF, 8) Up j x t , a 2,4 ~ Bay uyeo (WE) | U,> =o. (7) solution of eq. (7) Ll yic i “ The solution of €9, (7) will yield the eigenvectors | U, > for different values of cigenvatues E;, which are the solutions of the secular equation |H-Elj=0 (8) This equation will give N roots for E, the ‘energy eigenvalues which are the elements of the diagonal matrix H. The eigenvectors | U, > form the columns of the unitary matrix U which Provides us the eigenvectors | ¥, > of Hamiltonian Operator through eq. (4) and simultaneously diagonalises the Hamiltonian in the arbitrary representation | ya’ >. Thus the problem of solving the Schroedinger equation is equivalent to diagonalisation of the Hanltonian matrix in some arbitrary representation of basis functions which are known to us. When the Familtonian matrix is in diagonal form, the energy values are given by its non-zero diagonal elements. 11.11. QUANTUM DYNAMICS It is @ fundamental postulate of quantum mechanics that the state of a system is completely specified by a function W(r, t) at time ¢. At other times, the states of the. ‘system will be obtained by the solutions of the Schroedinger's time-dependent wave equation AWe,1 =in eo (1) ‘n terms of the language of the vector space, we shall designate the wavefunction W(r, r) by a state Wector | y,r > in some system of basis vectors. Given an initial state, say | Wo, fo >, of the system, we ‘an find the states of the system at subsequent times, Quantum dynamics deals with this aspect of the quantum mechanics i.e., with the time-evolution of the system. We now introduce a time-evolution operator U(¢, fo) such that, given the wavefunction Wg) at ‘inital time fp, we can find the wavefunction 'Y(t) ata later time by the prescription WD) = Ul to) Yo) en(2) Where U(to, 19) = I, the identity operator. : Substituting it into eq. (1), we see that the evolution operator satisfies the equation 10-5 U0) Wo) = HUG 40) WC) or ind Ul) = HU(6. 40) ~Q)512 Integrating above equation, we obtain Ul, 1) — Ullto) = =f, HU fa) a or UGG to) =1- i Ss HU (1, fo) de’ 4 9 Itcan be proved that the operator U(t, fo) is a unitary operator, i Ut(t 9) Ul, 10) = Ul fo) UNG f0) = 4 6 ‘when we make use of the conservation of probability principle < ¥E) | Vie) > = < Hl) | Yt) >- 6 When the Hamiltonian H is independent of time (i.e., does not contain time explicitly), eq. Chea be directly integrated : dU(t, to) : = H Ui) = He or UC 10) = exp [1G 19] a In that case, the solution to time-dependent equation is, (0) = Ulf) Yllo) = Expl 17H (1)] YG 40) ® ‘Although there are many representations of wavefunctions and observables, all connecte, through unitary tranformations, certain classes of representations, called pictures are useful in diferen situations, and differ in the way the time-evolution is treated. (1) SCHROEDINGER PICTURE ‘The formulation of quantum dynamics in which the wavefunctions are time-dependent as ia equation (1) and the operators (which are functions of x and p) representing dynamical variables ofthe system are time independent is known as the Schroedinger picture. Thus in equation (1), H is the time-independent Hamiltonian operator and any other operator, corresponding to any dynamical variable, is also time independent, ic., © (operator) =0. Matrix form of Schroedinger equation. We can transform eq. (1) in terms of the matrices, representing operator HY and the wavefunction Y(r,1). Let yj (i= 1, .. N) represent a complete set of time-independent orthonormal set of basi functions and let us expand 'V(r,#) in terms of these Wet) = Zeit) vil): 0 As is clear, we have included the time-dependence in the expansion coefficients c). Substituting eq. (1), we get % Heya =n z exo vie). Multiply by yj *(r) and integrate overall space Tao Sy*@) Fiyinde ind F409 x Syj* (©) vile) atari FORMULATION OF QUANTUM THEORY 513 or Died, Interchanging i and j a d NGHOH ADT LG EMjo(0 =i ill) (10) “hese equations form a matrix equation H| y(t) >= ing lv@>, (11) where H;, are the matrix elements of Hamiltonian operator #¥ in the representation described by the function y; and | y(¢) > is the state vector (a column matrix) a) eo) ly@>=] 0. | (12) 6 wus in the Schroedinger picture, the dynamics of the system is described by the equation of motion eq. (11). As is clear, inthis picture the state vectors, €q (6), are time-dependent while the operators, just like the opeator, are time-independent. However, the basis functions are time-dependent, but the is included in the expansion coefficients c(t). As time evolves, these coefficients and the new states of the system can be formed from eq. (9). of Motion in Schroedinger Picture ‘The expectation value of an operator 4, in state yi given by =< vy Asl We>- (13) ing time differential ofthis equation, we get a Ws Ws Beara