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The Schrödinger Wave Equation The Schrödinger Wave Equation 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation The Schrödinger Wave Eq. Classical Mechanics : Wave Mechanics = Geometrical optics: Wave optics classical mechanics quantum mechanics classical mechanics ←→ Newton’s theory = geometrical optics wave (quantum) mechanics ←→ Huygen’s theory = wave optics quantum phenomena ←→ diffraction & interference 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Time-independent Schrödinger Wave Eq. wave 1 2 (r , t ) eq.: (r, t ) 2 , v t2 2 solution is assumed to be sinusoidal, → (r, t ) (r ) exp( -i t ) → Helmholtz eq. 2 k 2 (r ) 0 de Broglie relation k p / → k 2m [ E V (r)] Erwin Schrödinger 2 → time-indep. Schrödinger eq.: 2 V (r) (r) E (r) 2m the appearance of → Schrödinger imposed the “quantum condition” on the wave eq. of matter 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Time-dependent Schrödinger Wave Eq. Einstein relation: E also represents the particle energy E t → (r, t ) (r ) exp -i Schrödinger found a 1st-order derivative in time consistent with the time-indep. Schrödinger eq. E (r, t ) (r ) exp -i t 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation The Probability Interpretation the probability density of finding the particle : (r, t ) (r, t ) 2 wave function = field distribution its modulus square = probability density distribution ∵the particle must be somewhere, ∴total integrated = 1 (r, t ) d 3 r (r, t )d 3 r 1 2 (the wave function for the probability interpretation needs to be normalized. ) 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation The Probability Interpretation N identically particles, all described by (r, t ) the number of particles found in the interval (r, r dr ) at t : 2 dN (r, t ) N (r, t ) d 3 r N (r, t ) d 3 r 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation The Probability Current Density a time variation of (r, t ) in a region is conserved by a net change in flux into the region. → J (r , t ) satisfy a continuity eq. : (r, t ) t J (r, t ) 0 by analogy with charge conservation in electrodynamics, (r, t ) t J(r, t ) J (r, t ) 0 ←→ conservation of probability (r, t )(r, t ) (r, t ) (r, t ) 2im 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Role of the Phase of the Wave Function J (r , t ) is related to the phase gradient of the wave function. (r, t ) (r, t ) exp[ i(r, t )] , where (r, t ) tan 1 Im[ (r, t )] = phase of the wave function Re[ (r, t )] → (r, t ) (r, t ) (r, t ) (r, t ) i (r, t ) (r, t ) (r, t ) (r, t ) (r, t ) (r, t ) i (r, t ) (r, t ) → J(r, t ) (r, t ) m (r, t ) the larger (r, t ) varies with space, the greater J (r , t ) 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Role of the Phase of the Wave Function J(r, t ) (r, t ) m (r, t ) reveals that the J (r , t ) is irrotational only when (r, t ) has no any singularities, which are the points of Re[ (r, t )] Im[ (r, t )] 0 . Conversely, the singularities of (r, t ) play a role of vortices to cause J (r , t ) to be rotational. 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Wave Functions in Coordinate and Momentum Spaces with p k (r , t ) 1 ( 2) 3 / 2 (p, t ) 1 (2) 3 / 2 i ( p, t ) exp p r d 3 p i (r, t ) exp p r d 3 r normalized: (r, t ) d 3 r (p, t ) d 3 p 1 2 2 (p, t ) d 3 p is the probability of finding the momentum of the particle in 2 d 3 p in the neighborhood of p at time t 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Operators and Expectation values of Physical Variables expectation value of r & p: r r (r, t ) d 3 r 2 , p p (p, t ) d 3 p 2 find an expression for <p> in coordinate space: p (r, t ) i (r, t ) d 3r → <p> can be represented by the differential operator p̂ i any function of p , f (p) & any function of r , g (r ) can be given by: g (r ) g (r ) f (p) 2006 Quantum Mechanics d r (p, t ) g (i ) (p, t ) d f (p) (p, t ) d 3 p 2 (r, t ) 2 3 (r, t ) f ( i ) (r, t ) d 3 r p 3 p Prof. Y. F. Chen The Schrödinger Wave Equation Operators and Expectation values of Physical Variables CM:all physical quantities can be expressed in terms of coordinates & momenta. QM: all physical quantities F (r,p) can be given by 3 (r, t ) F (r, i ) (r, t ) d r F (r, p) 3 (p, t ) F (i p , p) (p, t ) d p any physical operator in quantum mechanics needs to a Hermitian operator. 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Time Evolution of Expectation values & Ehrenfest’s Theorem the operators used in QM needs to be consistent with the requirement that their expectation values generally satisfy the laws of CM the time derivative of x can be given by: d r J (r,t ) d 3 r dt → integration by parts: d r 1 p (r,t ) i (r,t ) d 3 r dt m m → the classical relation between velocity and p holds for the expectation values of wave packets. 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Time Evolution of Expectation values & Ehrenfest’s Theorem Ehrenfes’s theorem:the time derivative of p can be given by d p V (r ) F(r ) dt → has a form like Newton’s 2nd law, written for expectation values for any operator A, the time derivative of <A> can be given by: i (1) where Ĥ A d A AH HA i dt t 2 2 ˆ is the Hamiltonian operator H V (r ) 2m (2) the eq. is of the extreme importance for time evolution of expectation values in QM 2006 Quantum Mechanics Prof. Y. F. Chen The Schrödinger Wave Equation Stationary States & General Solutions of the Schrödinger Eq. superposition of eigenstates:based on the separation of t & r (r, 0) cE E (r) & E E (r, t ) cE E (r) exp i t E (1) E = eigenvalue (2) E (r) = eigenfunction 2 2 (3) V (r) E (r) E E (r) 2m stationary states:if the initial state is represented by E (r) → (r, t ) E (r) exp i t E → (r, t ) (r, t ) 2 E (r) 2 , independent of t 2006 Quantum Mechanics Prof. Y. F. Chen