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One-Dimensional Problems | Physics

A particle of mass mm in a potential V(x)=0V(x) = 0 for 0<x<L0 \lt x \lt L and V(x)=V(x) = \infty otherwise.

Derivation. Inside the well, the time-independent Schrodinger equation is:

22md2ϕdx2=Eϕ    d2ϕdx2+k2ϕ=0-\frac{\hbar^2}{2m}\frac{d^2\phi}{dx^2} = E\phi \implies \frac{d^2\phi}{dx^2} + k^2\phi = 0

Where k=2mE/k = \sqrt{2mE}/\hbar. The general solution is:

ϕ(x)=Asin(kx)+Bcos(kx)\phi(x) = A\sin(kx) + B\cos(kx)

Boundary conditions: ϕ(0)=ϕ(L)=0\phi(0) = \phi(L) = 0.

From ϕ(0)=0\phi(0) = 0: B=0B = 0 So ϕ(x)=Asin(kx)\phi(x) = A\sin(kx).

From ϕ(L)=0\phi(L) = 0: sin(kL)=0\sin(kL) = 0Which requires kL=nπkL = n\pi for n=1,2,3,n = 1, 2, 3, \ldots

Therefore kn=nπ/Lk_n = n\pi/L and:

En=2kn22m=n2π222mL2E_n = \frac{\hbar^2 k_n^2}{2m} = \frac{n^2\pi^2\hbar^2}{2mL^2}

Normalisation. 0LA2sin2(nπx/L)dx=A2L/2=1\int_0^L |A|^2\sin^2(n\pi x/L)\,dx = |A|^2 L/2 = 1Giving A=2/LA = \sqrt{2/L}.

Solutions:

ϕn(x)=2Lsin(nπxL),En=n2π222mL2,n=1,2,3,\phi_n(x) = \sqrt{\frac{2}{L}}\sin\left(\frac{n\pi x}{L}\right), \quad E_n = \frac{n^2 \pi^2 \hbar^2}{2mL^2}, \quad n = 1, 2, 3, \ldots

Properties:

  • The ground state (n=1n = 1) has the lowest energy E1>0E_1 > 0 (zero-point energy).
  • Energy levels are not equally spaced; Enn2E_n \propto n^2.
  • There are (n1)(n - 1) nodes in the nn-th eigenstate.

V(x)=12mω2x2V(x) = \frac{1}{2}m\omega^2 x^2.

Define the ladder operators (creation and annihilation operators):

a^=mω2(x^+ip^mω),a^=mω2(x^ip^mω)\hat{a} = \sqrt{\frac{m\omega}{2\hbar}}\left(\hat{x} + \frac{i\hat{p}}{m\omega}\right), \quad \hat{a}^\dagger = \sqrt{\frac{m\omega}{2\hbar}}\left(\hat{x} - \frac{i\hat{p}}{m\omega}\right)

Commutation relation. Using [x^,p^]=i[\hat{x}, \hat{p}] = i\hbar:

[a^,a^]=mω2 ⁣[x^+ip^mω,x^ip^mω]=12(i)(i)+12(i)(i)=1[\hat{a}, \hat{a}^\dagger] = \frac{m\omega}{2\hbar}\!\left[\hat{x} + \frac{i\hat{p}}{m\omega},\, \hat{x} - \frac{i\hat{p}}{m\omega}\right] = \frac{1}{2\hbar}(-i)(i\hbar) + \frac{1}{2\hbar}(i)(-i\hbar) = 1

Inversion. From the definitions:

x^=2mω(a^+a^),p^=imω2(a^a^)\hat{x} = \sqrt{\frac{\hbar}{2m\omega}}(\hat{a} + \hat{a}^\dagger), \quad \hat{p} = -i\sqrt{\frac{m\omega\hbar}{2}}(\hat{a} - \hat{a}^\dagger)

Hamiltonian in terms of ladder operators. Substituting into H^=p^2/(2m)+mω2x^2/2\hat{H} = \hat{p}^2/(2m) + m\omega^2\hat{x}^2/2:

H^=ω ⁣(a^a^+12)\hat{H} = \hbar\omega\!\left(\hat{a}^\dagger\hat{a} + \frac{1}{2}\right)

Where we used a^a^=[a^,a^]+a^a^=1+a^a^\hat{a}\hat{a}^\dagger = [\hat{a}, \hat{a}^\dagger] + \hat{a}^\dagger\hat{a} = 1 + \hat{a}^\dagger\hat{a}.

Number operator. N^=a^a^\hat{N} = \hat{a}^\dagger\hat{a} So H^=ω(N^+1/2)\hat{H} = \hbar\omega(\hat{N} + 1/2).

Proof that a^\hat{a} and a^\hat{a}^\dagger lower and raise the energy. Compute [H^,a^][\hat{H}, \hat{a}]:

[H^,a^]=ω[a^a^,a^]=ω(a^[a^,a^]+[a^,a^]a^)=ωa^[\hat{H}, \hat{a}] = \hbar\omega[\hat{a}^\dagger\hat{a}, \hat{a}] = \hbar\omega(\hat{a}^\dagger[\hat{a}, \hat{a}] + [\hat{a}^\dagger, \hat{a}]\hat{a}) = -\hbar\omega\,\hat{a}

So H^a^n=(Enω)a^n\hat{H}\hat{a}|n\rangle = (E_n - \hbar\omega)\hat{a}|n\rangle: a^\hat{a} lowers energy by ω\hbar\omega. Similarly, [H^,a^]=+ωa^[\hat{H}, \hat{a}^\dagger] = +\hbar\omega\,\hat{a}^\dagger.

Let n|n\rangle be an eigenstate with H^n=Enn\hat{H}|n\rangle = E_n|n\rangle. Then:

a^n=cnn1,a^n=cn+1n+1\hat{a}|n\rangle = c_n|n-1\rangle, \quad \hat{a}^\dagger|n\rangle = c_{n+1}|n+1\rangle

The constants follow from normalisation. Since a^a^n=nn\hat{a}^\dagger\hat{a}|n\rangle = n|n\rangle:

cnn12=na^a^n=n\|c_n|n-1\rangle\|^2 = \langle n|\hat{a}^\dagger\hat{a}|n\rangle = n

Therefore:

a^n=nn1,a^n=n+1n+1\hat{a}|n\rangle = \sqrt{n}\,|n-1\rangle, \quad \hat{a}^\dagger|n\rangle = \sqrt{n+1}\,|n+1\rangle

Ground state. The lowering process must terminate: a^0=0\hat{a}|0\rangle = 0. This gives the Differential equation:

(x+mωddx)ϕ0(x)=0    ϕ0(x)=(mωπ)1/4exp ⁣(mωx22)\left(x + \frac{\hbar}{m\omega}\frac{d}{dx}\right)\phi_0(x) = 0 \implies \phi_0(x) = \left(\frac{m\omega}{\pi\hbar}\right)^{1/4}\exp\!\left(-\frac{m\omega x^2}{2\hbar}\right)

Energy spectrum. En=ω(n+1/2)E_n = \hbar\omega(n + 1/2) for n=0,1,2,n = 0, 1, 2, \ldots The zero-point energy E0=ω/2>0E_0 = \hbar\omega/2 \gt 0 is a direct consequence of [x^,p^]=i[\hat{x}, \hat{p}] = i\hbar.

The eigenfunctions involve Hermite polynomials HnH_n:

ϕn(x)=(mωπ)1/412nn!Hn ⁣(mωx)emωx2/(2)\phi_n(x) = \left(\frac{m\omega}{\pi\hbar}\right)^{1/4} \frac{1}{\sqrt{2^n n!}} H_n\!\left(\sqrt{\frac{m\omega}{\hbar}}\,x\right) e^{-m\omega x^2/(2\hbar)}

The first few Hermite polynomials are H0(ξ)=1H_0(\xi) = 1, H1(ξ)=2ξH_1(\xi) = 2\xi, H2(ξ)=4ξ22H_2(\xi) = 4\xi^2 - 2.

Example 5.1. Using the ladder operators, find ϕ1(x)\phi_1(x) from ϕ0(x)\phi_0(x).

Solution

ϕ1(x)a^ϕ0(x)=mω2(xmωddx)ϕ0(x)\phi_1(x) \propto \hat{a}^\dagger\phi_0(x) = \sqrt{\frac{m\omega}{2\hbar}}\left(x - \frac{\hbar}{m\omega}\frac{d}{dx}\right)\phi_0(x)

=mω2 ⁣(x+mωmωx)ϕ0(x)=mω22xϕ0(x)= \sqrt{\frac{m\omega}{2\hbar}}\!\left(x + \frac{\hbar}{m\omega}\cdot\frac{m\omega x}{\hbar}\right)\phi_0(x) = \sqrt{\frac{m\omega}{2\hbar}}\cdot 2x\,\phi_0(x)

Normalising gives ϕ1(x)=(mωπ)1/42mωxemωx2/(2)\phi_1(x) = \left(\frac{m\omega}{\pi\hbar}\right)^{1/4}\sqrt{\frac{2m\omega}{\hbar}}\,x\,e^{-m\omega x^2/(2\hbar)}.

V(x)=0V(x) = 0 everywhere. The Schrodinger equation:

22md2ϕdx2=Eϕ-\frac{\hbar^2}{2m}\frac{d^2\phi}{dx^2} = E\phi

Solutions: ϕk(x)=12πeikx\phi_k(x) = \frac{1}{\sqrt{2\pi}} e^{ikx} with E=2k22mE = \frac{\hbar^2 k^2}{2m}.

The energy spectrum is continuous (all E0E \geq 0). The eigenfunctions are not normalisable (plane Waves); physical states are wave packets constructed by superposition.

The parity operator Π^\hat{\Pi} reflects the coordinate: Π^ψ(x)=ψ(x)\hat{\Pi}\psi(x) = \psi(-x).

Properties:

  • Π^2=I^\hat{\Pi}^2 = \hat{I} So eigenvalues are ±1\pm 1.
  • Even functions (ψ(x)=ψ(x)\psi(-x) = \psi(x)) have parity +1+1.
  • Odd functions (ψ(x)=ψ(x)\psi(-x) = -\psi(x)) have parity 1-1.
  • If V(x)=V(x)V(x) = V(-x) (symmetric potential), then [H^,Π^]=0[\hat{H}, \hat{\Pi}] = 0 So energy eigenstates can be chosen to have definite parity.

Theorem 5.1. For a symmetric potential V(x)=V(x)V(x) = V(-x)The energy eigenstates are either even Or odd.

Proof. Since [H^,Π^]=0[\hat{H}, \hat{\Pi}] = 0There exists a simultaneous eigenbasis. Let H^ϕ=Eϕ\hat{H}\phi = E\phi and Π^ϕ=πϕ\hat{\Pi}\phi = \pi\phi where π=±1\pi = \pm 1. Then ϕ(x)=πϕ(x)\phi(-x) = \pi\phi(x) So ϕ\phi is either even (π=+1\pi = +1) or odd (π=1\pi = -1). \blacksquare

This theorem explains why the infinite square well, harmonic oscillator, and finite square well Eigenstates all have definite parity: their potentials are all symmetric about the origin.

Theorem 5.2 (Virial Theorem). For a stationary state of a Hamiltonian H^=p^2/(2m)+V(x^)\hat{H} = \hat{p}^2/(2m) + V(\hat{x}):

2T=xV"(x)2\langle T \rangle = \langle x\,V"(x) \rangle

Where TT is the kinetic energy.

Proof. Using Ehrenfest’s theorem for the operator G^=x^p^\hat{G} = \hat{x}\hat{p}:

ddtx^p^=i[H^,x^p^]=0\frac{d}{dt}\langle\hat{x}\hat{p}\rangle = \frac{i}{\hbar}\langle[\hat{H}, \hat{x}\hat{p}]\rangle = 0

For a stationary state. Computing the commutator:

[H^,x^p^]=[p^22m+V,x^p^]=12m[p^2,x^]p^+[x^p^,V]+x^[V,p^][\hat{H}, \hat{x}\hat{p}] = \left[\frac{\hat{p}^2}{2m} + V, \hat{x}\hat{p}\right] = \frac{1}{2m}[\hat{p}^2, \hat{x}]\hat{p} + [\hat{x}\hat{p}, V] + \hat{x}[V, \hat{p}]

=imp^p^+x^[V,p^]+x^[V,p^]=ip^2m+2ix^V(x)= \frac{-i\hbar}{m}\hat{p}\hat{p} + \hat{x}[V, \hat{p}] + \hat{x}[V, \hat{p}] = \frac{-i\hbar\hat{p}^2}{m} + 2i\hbar\hat{x}\,V'(x)

Setting dx^p^/dt=0d\langle\hat{x}\hat{p}\rangle/dt = 0 and dividing by ii\hbar:

p^2m+2x^V(x^)=0-\frac{\langle\hat{p}^2\rangle}{m} + 2\langle\hat{x}\,V'(\hat{x})\rangle = 0

2T+xV(x)=0    2T=xV(x)-2\langle T \rangle + \langle x\,V'(x) \rangle = 0 \implies 2\langle T \rangle = \langle x\,V'(x) \rangle \qquad \blacksquare

Applications. For the harmonic oscillator (Vx2V \propto x^2): 2T=2V2\langle T \rangle = 2\langle V \rangle So T=V=E/2\langle T \rangle = \langle V \rangle = E/2. For the hydrogen atom (V1/rV \propto -1/r): 2T=V2\langle T \rangle = -\langle V \rangle So T=E\langle T \rangle = -E and V=2E\langle V \rangle = 2E.

Consider V(x)=V0V(x) = -V_0 for x<a|x| \lt a and V(x)=0V(x) = 0 for x>a|x| \gt aWhere V0>0V_0 \gt 0.

Define k=2m(E+V0)/k = \sqrt{2m(E + V_0)}/\hbar (inside) and κ=2mE/\kappa = \sqrt{-2mE}/\hbar (outside). Note that k2+κ2=2mV0/2k^2 + \kappa^2 = 2mV_0/\hbar^2.

Even parity solutions. Inside: ϕ(x)=Acos(kx)\phi(x) = A\cos(kx). Outside: ϕ(x)=Beκx\phi(x) = Be^{-\kappa|x|}.

Matching ϕ\phi and ϕ\phi' at x=ax = a and dividing the two conditions:

ktan(ka)=κk\tan(ka) = \kappa

Odd parity solutions. Inside: ϕ(x)=Asin(kx)\phi(x) = A\sin(kx). Outside: ϕ(x)=Beκx\phi(x) = Be^{-\kappa|x|} (with sign For x<0x \lt 0). Matching gives:

kcot(ka)=κ-k\cot(ka) = \kappa

These are transcendental equations solved graphically. Define z=kaz = ka and z0=a2mV0/2z_0 = a\sqrt{2mV_0/\hbar^2}.

The even condition becomes tanz=z02/z21\tan z = \sqrt{z_0^2/z^2 - 1} and the odd condition becomes cotz=z02/z21-\cot z = \sqrt{z_0^2/z^2 - 1}. The number of bound states is N=2z0/π+1N = \lfloor 2z_0/\pi \rfloor + 1. There is always at least one bound state (the even ground state).

For E>0E \gt 0The particle has enough energy to escape. Define k1=2mE/k_1 = \sqrt{2mE}/\hbar (outside) And k2=2m(E+V0)/k_2 = \sqrt{2m(E + V_0)}/\hbar (inside). The solutions are oscillatory everywhere. The Transmission coefficient is:

T=11+V024E(E+V0)sin2(2k2a)T = \frac{1}{1 + \dfrac{V_0^2}{4E(E + V_0)}\sin^2(2k_2 a)}

Resonances occur when 2k2a=nπ2k_2 a = n\pi (integer multiples of π\pi), giving T=1T = 1: the well Becomes perfectly transparent.

Example 5.3. A finite square well has V0=5eVV_0 = 5\,\mathrm{eV} and 2a=1nm2a = 1\,\mathrm{nm}. Estimate the Number of bound states for an electron.

Solution

Compute z0=a2meV0/z_0 = a\sqrt{2m_e V_0}/\hbar:

z0=(0.5×109)2(9.109×1031)(5)(1.602×1019)1.055×1034z_0 = (0.5 \times 10^{-9})\frac{\sqrt{2(9.109 \times 10^{-31})(5)(1.602 \times 10^{-19})}}{1.055 \times 10^{-34}}

=(5×1010)1.460×10481.055×1034=(5×1010)3.821×10241.055×1034= (5 \times 10^{-10})\frac{\sqrt{1.460 \times 10^{-48}}}{1.055 \times 10^{-34}} = (5 \times 10^{-10})\frac{3.821 \times 10^{-24}}{1.055 \times 10^{-34}}

=(5×1010)(3.622×1010)=18.11= (5 \times 10^{-10})(3.622 \times 10^{10}) = 18.11

The number of bound states is N=2z0/π+1=36.22/π+1=11.53+1=12N = \lfloor 2z_0/\pi \rfloor + 1 = \lfloor 36.22/\pi \rfloor + 1 = \lfloor 11.53 \rfloor + 1 = 12.

(Actually, the formula is N=z0/(π/2)+1N = \lfloor z_0/(\pi/2) \rfloor + 1 only when counting the number of Intersections. With z0/(π/2)=18.11/1.571=11.53z_0/(\pi/2) = 18.11/1.571 = 11.53There are 11 full intersections plus one Partial, giving about 11 or 12 bound states.)

Consider V(x)=αδ(x)V(x) = -\alpha\delta(x) where α>0\alpha \gt 0.

The wave function is ψ(x)=Aeκx\psi(x) = Ae^{\kappa x} for x<0x \lt 0 and ψ(x)=Beκx\psi(x) = Be^{-\kappa x} for x>0x \gt 0 Where κ=2mE/\kappa = \sqrt{-2mE}/\hbar.

Matching conditions.

  1. Continuity: A=BA = B at x=0x = 0.

  2. Discontinuity in derivative (integrating the Schrodinger equation across x=0x = 0):

ψ(0+)ψ(0)=2mα2ψ(0)\psi'(0^+) - \psi'(0^-) = -\frac{2m\alpha}{\hbar^2}\psi(0)

This gives κBκA=2mαA/2-\kappa B - \kappa A = -2m\alpha A/\hbar^2 And since A=BA = B:

κ=mα2\kappa = \frac{m\alpha}{\hbar^2}

The bound state energy is:

E=2κ22m=mα222E = -\frac{\hbar^2\kappa^2}{2m} = -\frac{m\alpha^2}{2\hbar^2}

The normalised wave function is ψ(x)=κeκx\psi(x) = \sqrt{\kappa}\,e^{-\kappa|x|}. There is exactly one bound state.

For a particle of energy E=2k2/(2m)E = \hbar^2 k^2/(2m) incident from the left:

ψ(x)={eikx+Reikxx<0Teikxx>0\psi(x) = \begin{cases} e^{ikx} + Re^{-ikx} & x \lt 0 \\ Te^{ikx} & x \gt 0 \end{cases}

Applying the matching conditions at x=0x = 0:

1+R=T,ik(T1R)=2mα2T1 + R = T, \quad ik(T - 1 - R) = -\frac{2m\alpha}{\hbar^2}T

Solving:

T=ikikmα/2=11+imα/(2k)T = \frac{ik}{ik - m\alpha/\hbar^2} = \frac{1}{1 + im\alpha/(\hbar^2 k)}

R=mα/2ikmα/2=imα/2ik+mα/2R = \frac{-m\alpha/\hbar^2}{ik - m\alpha/\hbar^2} = \frac{-im\alpha/\hbar^2}{ik + m\alpha/\hbar^2}

The transmission and reflection coefficients:

T2=11+(mα)2/(4k2)=11+mα2/(22E),R2=1T2|T|^2 = \frac{1}{1 + (m\alpha)^2/(\hbar^4 k^2)} = \frac{1}{1 + m\alpha^2/(2\hbar^2 E)}, \quad |R|^2 = 1 - |T|^2

Note that even for very high energies (EE \to \infty), R2(mα)2/(4k2)0|R|^2 \to (m\alpha)^2/(\hbar^4 k^2) \neq 0: The delta function always reflects some probability, unlike a smooth potential which becomes Transparent at high energies. This is because the delta function has an infinitely sharp feature At x=0x = 0 that scatters waves of all wavelengths.

Consider a rectangular barrier V(x)=V0V(x) = V_0 for 0<x<a0 \lt x \lt a and V(x)=0V(x) = 0 otherwise, with E<V0E \lt V_0.

Inside the barrier, the Schrodinger equation gives exponentially decaying and growing solutions:

ψ(x)=Ceκx+Deκx,κ=2m(V0E)2\psi(x) = Ce^{\kappa x} + De^{-\kappa x}, \quad \kappa = \sqrt{\frac{2m(V_0 - E)}{\hbar^2}}

For a thick barrier (κa1\kappa a \gg 1), the growing solution CeκxCe^{\kappa x} is negligible at the Far edge, and the transmission coefficient simplifies to:

T16E(V0E)V02e2κaT \approx \frac{16E(V_0 - E)}{V_0^2}\,e^{-2\kappa a}

The exponential factor e2κae^{-2\kappa a} is the hallmark of quantum tunnelling: the probability of Penetration decreases exponentially with barrier width and height.

Example 5.2. An electron with E=5E = 5 eV approaches a barrier of height V0=10V_0 = 10 eV and Width a=0.5a = 0.5 nm. Calculate TT.

Solution

κ=2(9.109×1031)(105)(1.602×1019)(1.055×1034)2=1.302×1020=1.141×1010  m1{\kappa = \sqrt{\frac{2(9.109 \times 10^{-31})(10 - 5)(1.602 \times 10^{-19})}{(1.055 \times 10^{-34})^2}} = \sqrt{1.302 \times 10^{20}} = 1.141 \times 10^{10}\;\mathrm{m}^{-1}}

2κa=2(1.141×1010)(5×1010)=11.412\kappa a = 2(1.141 \times 10^{10})(5 \times 10^{-10}) = 11.41

T16(5)(5)100e11.41=4.0×e11.41=4.0×1.097×105=4.4×105T \approx \frac{16(5)(5)}{100}\,e^{-11.41} = 4.0 \times e^{-11.41} = 4.0 \times 1.097 \times 10^{-5} = 4.4 \times 10^{-5}

The electron has roughly a 0.004%0.004\% chance of tunnelling through this barrier.

Application: alpha decay. Alpha decay can be understood as quantum tunnelling through the Coulomb Barrier. The Geiger-Nuttall law, which relates the decay constant to the alpha particle energy, Follows directly from the exponential dependence of TT on the barrier width.

Application: scanning tunnelling microscope (STM). In an STM, a small voltage is applied between A sharp tip and a conducting surface. Electrons tunnel across the gap, producing a current that Depends exponentially on the tip-surface distance: Ie2κdI \propto e^{-2\kappa d}. This allows atomic- Resolution imaging of surfaces, as a change in distance of 0.10.1 nm changes the current by a factor Of about 10.

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One-dimensional quantum problems are the laboratory where quantum weirdness becomes visible. The infinite square well is like a ball bouncing in a perfectly elastic box: the standing waves that fit inside determine the allowed energies, and the zero-point energy means the ball can never be perfectly still. The harmonic oscillator is the quantum version of a pendulum: the ladder operators let you climb up and down the energy ladder one rung at a time, and each rung costs exactly one quantum of energy. The delta function potential is an infinitely sharp spike that still manages to bind a particle, showing that even an infinitely narrow potential can trap a quantum state. Quantum tunneling is the most dramatic departure from classical physics: a particle can pass through a barrier it classically cannot climb over, like a ball rolling through a wall. The thinner and lower the barrier, the more likely the tunnel, which is how nuclear decay and scanning tunneling microscopes work.

Mistake 1: Assuming energy quantisation always occurs Energy is quantised only for bound states (particles trapped in a potential well). For scattering states (E>0E > 0 for a finite potential), the energy spectrum is continuous. Students often assume all quantum systems have discrete energy levels, which is only true for confined particles.

Mistake 2: Forgetting the zero-point energy The ground state energy of a quantum system is never zero for a confining potential. For the infinite square well, E1=π22/(2mL2)>0E_1 = \pi^2\hbar^2/(2mL^2) > 0. This is a consequence of the uncertainty principle: confining a particle to a region of size LL requires momentum /L\sim \hbar/L, giving kinetic energy 2/(2mL2)\sim \hbar^2/(2mL^2). Students sometimes set the lowest energy to zero as in classical mechanics.

Mistake 3: Misunderstanding quantum tunnelling Tunnelling does not require the particle to “have” energy greater than the barrier height inside the barrier. The wave function extends into the classically forbidden region with exponentially decreasing amplitude. The particle’s energy is E<V0E < V_0 throughout, and the tunnelling probability decreases exponentially with barrier width and height.