Hamilton-Jacobi form
In the non-relativistic quantum mechanics (NRQM), Schoedinger Equation dictates the dynamical evolution of the system, iℏ∂tψ=−ℏ22m∇2ψ+Vψ. Schroedinger equation is a linear second-order partial differential equation (PDE). Differential operator ˆp=ℏi∇ is called momentum, and ˆH=ˆp22m+V Hamiltonian. Let's do a change of variable ψ=expiℏS. We obtain a non-linear second-order PDE, ∂tS+12m(∇S)2+V=iℏ2m∇2qS Let's call the complex function p=∇qS momentum and H=p22m+V the Hamiltonian. The above equation can be written as ∂tS+H(q,∇qS,t)=iℏ2m∇2S. This is the Hamilton-Jacobi form of the wave equation. Function p is different from but consistent with the differential operator ˆp. It is easy to see, ˆpψ=p⋅ψ.
If the Hamiltonian H is time-independent, we separate the time by S=W−Et. The resulted equation, iℏ∇⋅p−p2+2m(E−V), corresponds to the time-independent Schroedinger equation.
ˆp2=∑iˆpai(ˆq,t)bi(ˆQ,t)=∑iai(ˆq,t)ˆpbi(ˆQ,t)+∑i[ˆp,ai(ˆq,t)]bi(ˆQ,t). The first term is well-ordered. For the second term, recall that [ˆp,A]=−i∂qℏA. So ˆp2=:ˆp2:−iℏ∂qˆp. Sandwiched with ⟨q| and |Q⟩, we derive the quantum HJ equation.
In the time-independent problem, the classical momentum is just p2cl=2m(E−V). Up to the first order of ℏ, p=pcl+ℏip1. Substitute it to the HJ equation and drop the second order terms, pcl⋅∇S1=−12∇⋅pcl. S1 is a hyper surface composed of the integral curves ˙q=pcl,˙S1=−12∇⋅pcl The wavefunction is, ψ=exp(iℏ∫dq⋅pcl+S1) For example, in the 1D case, S1=−12logpcl+c and the full solution is, ψ=C+√pclexp(iℏ∫pcldq)+C−√pclexp(−iℏ∫pcldq).
In the classically forbidden region (E<V), pcl=±i√2m|E−V| becomes imaginary and the wavefunction developed an exponential-decline factor. This is the phenomenon of quantum tunneling.
Some higher-dimensional system can be reduced to one-dimensional by the separation of variables. The notable example is the central potential: V=V(r). We can separate variables by S=Wr+Wθ+Wϕ−Et and get, iℏW″ϕ−W′2ϕ=−m2sℏ2;iℏ1sinθ∂∂θ(sinθW′θ)−m2sℏ2sin2θ−W′2θ=−l(l+1)ℏ2;iℏ12mr2∂∂r(r2W′r)−12mr2l(l+1)ℏ2=V(r)−E+W′r2 with the boundary condition W→Wcl if ℏ→0,Wϕ(ϕ+2π)=Wϕ(ϕ).
The first equation has the solution Wϕ(ϕ)=ℏilogcosmsϕ with ms=0,±1,±2,⋯.
The second equation is a Riccati equation, that can be rewritten to a linear second order differential equation. The resultant equation is just the Bessel equation. Meanwhile, if we do a change of variable W′θ=pθ=iℏ(uθ+12cotθ), it becomes, u′θ=u2θ+1−4m2s4sin2θ+(l+12)2 The third equation is also a Riccati equation. With a change of variable W′r=pr=iℏ2m(ur+1r), the equation becomes u′r=u2r+4m2ℏ2(E−V(r))−2ml(l+1)r2
Non-linear first order differential equations dwdz=F(z,w) where z∈C, and F(z,w) is locally analytic can have "internal singularities" or the movable singular points. The location of the singular points depends on integration constant. A leading example is the equation dwdz=w2⇒w(z)=1c−z. Riccati equations do not have movable critical singularities. In fact, in 1884 W. Fuchs showed that Riccati equations are the only class of first order differential equations without movable critical singular points [2].
Riccati equation w′=w2+f(z) admits a solution w(z)=−v′(z)v(z) where v(z) is a solution of the second order linear equation v″+f(z)v=0. Then, the original solution w(z)=−v′(z)v(z)=−g(z)+(z−z1)g′(z)(z−z1)g(z)=−1z−z1−g′(z)g(z)=−∑i1z−zi−φ(z) (φ(z) only has critical singularities ) can only have first order non-movable singularities. Then the angular action is quantized with the famous Bohr-Sommerfeld condition Jq=2πin(−1)iℏ=2πnℏ+C,n=0,1,2,... where n is the number of single poles lying on the real axis of the solution w(z) hence pq. C is constant. With any luck, the solution has no critical singularities and then C=0. A nice feature of this analysis is the manifest of the correspondence principle. In the classic mechanics, pq=√2m(E−V) that has a branch cut. Whereas in quantum theory in the classical limit n→∞, the poles on the real axis behaves like the branch cut. Along this line, the ground state is the solute with the minimal pole.
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[1]:http://eqworld.ipmnet.ru/en/solutions/ode/ode0123.pdf
[2]:http://www.encyclopediaofmath.org/index.php/Painlev%C3%A9-type_equations#References
[3]:http://www.risc.jku.at/publications/download/risc_2773/prep2.pdf
[4]:Robert A. Leacock and Michael J. Padgett, Hamilton-Jacobi Theory and the Quantum Action Variable, Phys. Rev. Lett. 50, 3–6 (1983) URL: http://prl.aps.org/abstract/PRL/v50/i1/p3_1
[5]:Marco Roncadelli and L. S. Schulma, Quantum Hamilton-Jacobi Theory, PRL, 99, 170406 (2007), arxiv URL: http://arxiv.org/pdf/0712.0307v1.pdf
[6]: https://michaelberryphysics.files.wordpress.com/2013/07/berry023.pdf
If the Hamiltonian H is time-independent, we separate the time by S=W−Et. The resulted equation, iℏ∇⋅p−p2+2m(E−V), corresponds to the time-independent Schroedinger equation.
Second quantization
The quantum HJ equation differs the classical one by an extra term iℏ2m∇⋅p. It has been argued by Roncadelli and Schulman (2007) that this term arises from second-quantization of the classical HJ equation, ∂tˆS+H(ˆq,∂ˆqˆS,t)=0. Here ˆS=S(ˆq,ˆQ,t) is a quantum mechanical operator that depends on the generalized coordinate operator before and after canonical transformation, ˆq and ˆQ. In order to get the wave equation, define S=⟨q|ˆS|Q⟩. Obviously, ⟨q|∂tˆS|Q⟩=∂tS, ⟨q|V(ˆq)|Q⟩=V(q). However, one has to be careful with the quadratic term ⟨q|ˆp2|Q⟩, as ˆq may not commute with ˆQ, which means ˆp2 need to be ordered. In general ˆp=∑iai(ˆq,t)bi(ˆQ,t). Therefore,ˆp2=∑iˆpai(ˆq,t)bi(ˆQ,t)=∑iai(ˆq,t)ˆpbi(ˆQ,t)+∑i[ˆp,ai(ˆq,t)]bi(ˆQ,t). The first term is well-ordered. For the second term, recall that [ˆp,A]=−i∂qℏA. So ˆp2=:ˆp2:−iℏ∂qˆp. Sandwiched with ⟨q| and |Q⟩, we derive the quantum HJ equation.
Classical limit
The quantum Hamilton-Jacobi equation reduces to the classical Hamilton-Jacobi equation as ℏ→0. This observation suggests an expansion of the quantum action S around the classical action Scl≡S0 with respect to ℏ: S=S0+ℏiS1+(ℏi)2S2+⋯;W=W0+ℏiW1+(ℏi)2W2+⋯. For a semi-classical system, ℏ|Sn|≪|Sn−1|. Therefore, the quantum theory can be solved from improving the classical action order by order. This method is known as the Eikonal approximation (cf. WKB approximation). The classical action obeys the classical HJ equation, ∂tScl+H(q,∂qScl,t)=0. To the first order of ℏ, ∂tS1+H1(q,∂qScl,∂qS1,t)=0, here H1=H(q,pcl+p1,t)−H(q,pcl,t)≃∂pH∂qS1.![]() |
Fig. The solution surface of S1 is the collection of the integral curve ˙q=pcl, ˙S1=−12∇⋅pcl. |
In the time-independent problem, the classical momentum is just p2cl=2m(E−V). Up to the first order of ℏ, p=pcl+ℏip1. Substitute it to the HJ equation and drop the second order terms, pcl⋅∇S1=−12∇⋅pcl. S1 is a hyper surface composed of the integral curves ˙q=pcl,˙S1=−12∇⋅pcl The wavefunction is, ψ=exp(iℏ∫dq⋅pcl+S1) For example, in the 1D case, S1=−12logpcl+c and the full solution is, ψ=C+√pclexp(iℏ∫pcldq)+C−√pclexp(−iℏ∫pcldq).
In the classically forbidden region (E<V), pcl=±i√2m|E−V| becomes imaginary and the wavefunction developed an exponential-decline factor. This is the phenomenon of quantum tunneling.
Separation of variables
In one-dimension, the time-independent HJ equations, iℏp′=p2−2m(E−V), is a Riccati equation. If given a particular solution p0, the general solution is p=p0+exp(2iℏ∫xdyp0(y))C+iℏ∫xdyexp(2iℏ∫ydzp0(z)).
The first equation has the solution Wϕ(ϕ)=ℏilogcosmsϕ with ms=0,±1,±2,⋯.
The second equation is a Riccati equation, that can be rewritten to a linear second order differential equation. The resultant equation is just the Bessel equation. Meanwhile, if we do a change of variable W′θ=pθ=iℏ(uθ+12cotθ), it becomes, u′θ=u2θ+1−4m2s4sin2θ+(l+12)2 The third equation is also a Riccati equation. With a change of variable W′r=pr=iℏ2m(ur+1r), the equation becomes u′r=u2r+4m2ℏ2(E−V(r))−2ml(l+1)r2
Bohr-Sommerfeld quantization
Recall the angular action Jq is defined as Jq=∮Cdqpq where pq=∂∂qW. The value of Jq only depends on the analytic structure of the solution pq of the Hamilton-Jacobi equation. The poles are the "good" singular points that gives finite result for Jq. The "bad" singularities include the branch points and the essential singular points are called the critical points. Jq gains contributions from both poles and critical points.Non-linear first order differential equations dwdz=F(z,w) where z∈C, and F(z,w) is locally analytic can have "internal singularities" or the movable singular points. The location of the singular points depends on integration constant. A leading example is the equation dwdz=w2⇒w(z)=1c−z. Riccati equations do not have movable critical singularities. In fact, in 1884 W. Fuchs showed that Riccati equations are the only class of first order differential equations without movable critical singular points [2].
Riccati equation w′=w2+f(z) admits a solution w(z)=−v′(z)v(z) where v(z) is a solution of the second order linear equation v″+f(z)v=0. Then, the original solution w(z)=−v′(z)v(z)=−g(z)+(z−z1)g′(z)(z−z1)g(z)=−1z−z1−g′(z)g(z)=−∑i1z−zi−φ(z) (φ(z) only has critical singularities ) can only have first order non-movable singularities. Then the angular action is quantized with the famous Bohr-Sommerfeld condition Jq=2πin(−1)iℏ=2πnℏ+C,n=0,1,2,... where n is the number of single poles lying on the real axis of the solution w(z) hence pq. C is constant. With any luck, the solution has no critical singularities and then C=0. A nice feature of this analysis is the manifest of the correspondence principle. In the classic mechanics, pq=√2m(E−V) that has a branch cut. Whereas in quantum theory in the classical limit n→∞, the poles on the real axis behaves like the branch cut. Along this line, the ground state is the solute with the minimal pole.
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[1]:http://eqworld.ipmnet.ru/en/solutions/ode/ode0123.pdf
[2]:http://www.encyclopediaofmath.org/index.php/Painlev%C3%A9-type_equations#References
[3]:http://www.risc.jku.at/publications/download/risc_2773/prep2.pdf
[4]:Robert A. Leacock and Michael J. Padgett, Hamilton-Jacobi Theory and the Quantum Action Variable, Phys. Rev. Lett. 50, 3–6 (1983) URL: http://prl.aps.org/abstract/PRL/v50/i1/p3_1
[5]:Marco Roncadelli and L. S. Schulma, Quantum Hamilton-Jacobi Theory, PRL, 99, 170406 (2007), arxiv URL: http://arxiv.org/pdf/0712.0307v1.pdf
[6]: https://michaelberryphysics.files.wordpress.com/2013/07/berry023.pdf