Gaussian variational energy for the harmonic oscillator Created 2026-10-14 Updated 2026-10-18
Use the quantum harmonic oscillator in units with reduced Planck constant , mass , and angular frequency . Its Hamiltonian operator and trial Gaussian wave packet are
This is the same Gaussian wave packet used for the Heisenberg uncertainty relation: is a normal distribution with mean zero and variance . The Gaussian integral gives wavefunction normalization and . These smooth, rapidly decaying trials lie in the one-dimensional harmonic oscillator form domain and even in the operator domain.
Since , integration by parts with vanishing boundary terms gives the kinetic energy and potential energy:
Narrow trials cost kinetic energy, while broad trials cost potential energy. The exact difference
shows that the unique optimal width is , with . At and , the trial energies are both ; the kinetic energy and potential energy contributions exchange places.
Figure 1.
Gaussian oscillator trial energies: widths 0.5 and 1 both give 0.625, while the optimal width gives 0.5
. The kinetic energy decreases and the potential energy increases with the width of the Gaussian wave packet. Their sum touches the exact ground-state energy only at . Details.
Minimizing within this trial family alone establishes . To establish exactness, use the Heisenberg uncertainty relation to obtain for every admissible quantum state, as in its existing oscillator example. Together the bounds give . Direct substitution also yields , agreeing with the Gaussian eigenstate for a quadratic potential. This is a useful distinction: the variational method supplies the upper bound, while the Heisenberg uncertainty relation supplies the complementary lower bound.
For and smooth compactly supported , integration by parts gives
Dropping the nonnegative weighted derivative term proves the displayed bound. For a weak resolvent solution in the one-dimensional harmonic oscillator form domain, apply the bound to , where is a smooth cutoff. The cutoff error is bounded in L2 space and tends to zero. The Fatou lemma then shows that and belong to L2 space, identifying the strong operator domain.
A contraction semigroup on a Banach space consists of bounded linear operators with , , , and as for each . Its infinitesimal generator of a semigroup is
For density, Yosida averaging of a semigroup gives . Taking the difference quotient of this Bochner integral shows that and . Strong continuity gives , so is dense.
For closedness, the semigroup restricted to its generator domain satisfies
If and , pass to the limit in this identity. After dividing by , strong continuity gives . Hence and . This proves generator of a strongly continuous semigroup is closed and densely defined.
The contraction form of the Hille-Yosida theorem states that a linear operator generates a contraction semigroup if and only if it is densely defined and closed, every real lies in its resolvent set, and
Here the bound implies the others by taking powers of the same bounded resolvent.
The H1 space is with weak derivative and squared norm . The displayed weighted space is the one-dimensional harmonic oscillator form domain, with inner product
If is Cauchy in , it converges in to , and converges in L2 space to some . On each bounded interval, multiplication by is bounded, so there. Thus and convergence holds in , proving completeness and the Hilbert space property. Equivalently this is closedness of the multiplication operator by .
For the Sobolev characterization by bounded difference quotients, if then
The last assertion uses continuity of translation of a function in L2 space. Conversely, if and the quotients are uniformly bounded for , take a weakly convergent subsequence as . For every test function ,
The weak limit is therefore the weak derivative . This proves the characterization.
Write . Smooth compactly supported functions lie in and are dense in L2 space, so is densely defined.
For , use the form
on the one-dimensional harmonic oscillator form domain . It is bounded and coercive in the norm. The Lax-Milgram theorem gives a unique satisfying for every . Thus in distributions.
We must verify the full specified operator domain, not just the form domain. The equation first gives . For compactly supported functions, integration by parts gives the graph estimate for the harmonic oscillator, obtained from
Apply this to , with on , supported in , and derivatives bounded by and . Its right-hand source is , uniformly bounded in L2 space. The estimate and the Fatou lemma give ; the original equation then gives , and hence . Thus , proving that is onto. The energy identity proves injectivity and the resolvent of the shifted harmonic oscillator estimate
To prove closedness, suppose and in L2 space. For one fixed ,
Therefore belongs to the range of the resolvent, namely , and .
All hypotheses of the Hille-Yosida theorem now hold; the resolvent bound is stronger than . Let be its contraction semigroup. The exponentially shifted semigroup
has generator . It is continuous in L2 space, takes the initial value , and satisfies . For , its time derivative exists in L2 space and equals , so the equation holds as a strong L2 space solution. For general initial data it is the semigroup solution, without an unproved pointwise differentiability claim.
For on , the form is coercive on the one-dimensional harmonic oscillator form domain when . The Lax-Milgram theorem gives a unique weak solution of . The graph estimate for the harmonic oscillator puts it in , and gives the displayed resolvent bound. The domain is dense and the bounded resolvent proves closedness, so the Hille-Yosida theorem gives a contraction semigroup. An exponentially shifted semigroup with generator solves the heat equation with oscillator potential.