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Write $a_k=g-\cos k$, $s_k=\sin k$ and $r_k=\sqrt{a_k^2+s_k^2}$. The Ising-chain Bogoliubov diagonalization uses the eigenvalues $\pm r_k$ of the two-by-two Nambu matrix. For distinct paired modes $k\ne -k$, choose $\cos {\theta }_k=a_k/r_k$, $\sin {\theta }_k=-s_k/r_k$ and ${\theta }_{-k}=-{\theta }_k$. The rotation $U_k=e^{-i{\theta }_k{\sigma }_y/2}$ satisfies $U_k^{†}{M}_k{U}_k=r_k{\sigma }_z$, and its first transformed component isThe opposite signs of the paired angles preserve the canonical anticommutation relations. Self-paired spinless fermion modes have zero pairing and are treated directly as occupied or empty number levels; they do not require this paired-angle formula.

Both $k$ and $-k$ occur in the sum, so the physical quasiparticle coefficient is $2J{r}_k$, not $J{r}_k$. ConsequentlyThis is the bulk quadratic result under the stipulated boundary simplification. Restoring the finite-chain parity sectors adjusts allowed modes and global excitation constraints. In the thermodynamic limit, the ground-state energy per site isFor $g\ge 0$, the bulk quasiparticle gap is $2J|g-1|$. The requested three regimes are shown in the original sketch and discussed separately below.

For the new periodic potential, let $\kappa$ be the single-neighbour hopping rate and $\Delta ϵ=\hslash \kappa$. It is determined by the barrier between adjacent minima; an unspecified periodic potential does not determine it from the preceding quartic potential's numerical action. The minimum spacing is now $a$.

A path with $r$ right hops and $s$ left hops has $r-s=n-m$. Summing the ordered-center weights and their direction choices givesInsert the Fourier representation of a Kronecker delta. The two exponential series sum independently, yielding the dilute-hopping lattice propagatorThe two Fourier-sign choices are equivalent by $\theta \mapsto -\theta$. Equivalently the integral is the modified Bessel function $I_{n-m}(2\kappa \tau )$.

The original PDF prints $e^{+\omega \tau /2}$ here. Its sign is inconsistent with both the previous double-well result and the requested positive on-site oscillator energy. The correct factor is $e^{-\omega \tau /2}$: a positive oscillator ground-state energy must decay under $e^{-H\tau /\hslash }$. The other factors and their derivation remain as displayed. The energy $\Delta ϵ$ is the positive nearest-neighbour quantum tunnelling matrix-element magnitude, exponentially small relative to the local well scale in the semiclassical regime.

For a normalized trial state $\psi$, expand it in an orthonormal basis of energy eigenstates, $\psi ={\sum }_n{c}_n{\psi }_n$. The Rayleigh quotient is thenThis is the quantum variational principle: minimizing the expectation of the Hamiltonian operator over any trial family gives an upper bound on the ground-state energy.

Let $\psi$ be the normalized ground-state wavefunction and form the normalized dilation ${\psi }_{\lambda }(x)={\lambda }^{1/2}\psi (\lambda x)$. Its kinetic and potential expectations areThe true ground state makes the energy stationary at $\lambda =1$, soThus the power-law quantum virial theorem gives

If $n\le -3$ and $A>0$, the two sides have opposite signs, because $T>0$ and $V>0$. If $A<0$, the scaled energy ${\lambda }^{2}T+{\lambda }^{-n}V$ tends to $-\infty$ as $\lambda \to \infty$, since $-n>2$, so the Hamiltonian is not bounded below. If $A=0$, the free particle has no normalizable ground state. Hence there is no normalizable ground state for $n\le -3$.

For $n=1$ take the normalized Gaussian functionThe Gaussian integral givesand thereforeIts unique minimum satisfiesAt this point $⟨V⟩=2⟨T⟩$, consistently with the virial theorem, and the resulting variational estimate is

Since ${\hat{x}}_i=P_{1,i}$ and $I-{\hat{x}}_i=P_{0,i}$, the diagonal Hamiltonian iswith the identity on every unlisted qubit. Each computational-basis state is an eigenstate, and its eigenvalue is minus the cost of the corresponding cut. Part i supplies cost four, while the assumed bound $|{\lambda }_{\min }|\le 4$ rules out a lower energy. Thus the ground-state energy is $-4$. For the assignment $(x_1,x_2,x_3,x_4,x_5)=(0,1,0,0,1)$, one ground state isIts bitwise complement $|10110⟩$ is another ground state, as are the basis states corresponding to the other maximum cuts.

Use the intended infinite square well interpretation: the kinetic-energy operator on $(-a,a)$ with zero Dirichlet boundary conditions. The variational energy is most safely evaluated through its quadratic form,The boundary term vanishes because the trial function vanishes at both walls. Its zero extension has derivative jumps there, so the form interpretation avoids assigning an unrestricted full-line second derivative to it.

Set $u=x/a$ and $b=\lambda a^2$. Apart from an irrelevant factor $a^2$, the trial function is $q_b(u)=(1-u^2)(1+b{u}^2)$. Polynomial integration givesHence the polynomial Rayleigh-Ritz trial space for a one-dimensional box has energyThe denominator is strictly positive, since $b^2+6b+21=(b+3{)}^2+12$. Differentiation givesThe two stationary parameters are $b_{\pm }=(-49\pm 4\sqrt{133})/13$. The smaller is a local maximum; the larger is a local minimum. Since the energy tends to $33{\hslash }^2/(4m{a}^2)$ as $|b|\to \infty$, the latter is the global minimum:The upper stationary value is $(7+\sqrt{133}/2){\hslash }^2/(m{a}^2)$. Exact roots give a slightly tighter bound than substituting the rounded hints.

There are two qualifications to the printed operator and comparison energy. For the box with Dirichlet boundary conditions and width $2a$, the actual ground-state energy iswhich lies just below the variational result. The coefficient $6/5$ printed as an exact eigenvalue is inconsistent with this box problem. Also, merely declaring the differential expression to be zero outside the interval does not impose hard-wall confinement or specify a self-adjoint domain. Read literally on a space admitting exterior-supported states, it has zero-energy states outside and does not have the claimed positive ground energy. The boxed variational result is the well-defined answer for the intended confined particle; a different full-line operator would need its domain and matching conditions supplied.

The infinite square well has energy levels $E_n=n^2{h}^2/(8m_e{L}^2)$, with $n=1,2,\dots$. The longest absorption wavelength corresponds to the smallest available energy difference from the ground state, namely $n=1\to 2$. Its position matrix element is nonzero because the two states have opposite parity about the center of the well, so it is an allowed electric dipole transition.

Equating the photon energy to this gap givesHere the photon gap is approximately $1.55\mathrm{eV}$, not the ground-state energy itself.

Write $L=10^{-9}\mathrm{m}$ and use the Heisenberg uncertainty relation separately in the three Cartesian directions. Since a position coordinate is confined to an interval of length $L$, Popoviciu's inequality on variances gives $\Delta x_i\le L/2$. Consequently $\Delta p_i\ge \hslash /L$, and the expectation value of the kinetic energy obeysThus an uncertainty-based lower estimate is $\boxed{K\gtrsim 0.11\mathrm{eV}}$. This confinement energy bound from position support is not sharp: the exact ground-state energy for a cubical infinite square well is $3{\pi }^2{\hslash }^2/(2m_e{L}^2)=1.13\mathrm{eV}$. The Heisenberg uncertainty principle establishes the confinement scale ${\hslash }^2/(m_e{L}^2)$; identifying a box size with an approximate position standard deviation changes its numerical coefficient.

For either number operator $\hat{N}={\hat{a}}^{†}\hat{a}$, positivity follows fromHence an eigenvalue $\nu$ cannot be negative. The commutatorsshow that $\hat{a}|\nu ⟩$, if nonzero, is an eigenstate with eigenvalue $\nu -1$. For a normalized eigenstate, $\Vert \hat{a}|\nu ⟩{\Vert }^2=\nu$.

If $\nu$ were not an integer, successive nonzero lowerings would eventually reach an eigenstate with $0<{\nu }^{\prime }<1$. Its next lowering would have nonzero norm but a negative eigenvalue, contradicting positivity. The ladder must therefore terminate at $\nu =0$, with $\hat{a}|0⟩=0$. Conversely, successive applications of the creation operator never vanish, becauseThe normalizable bottom state exists explicitly: solving $\hat{a}{\psi }_0=0$ gives ${\psi }_0(x)\propto \exp [-m\omega x^2/(2\hslash )]$. Thus the number operator has exactly the non-negative integer eigenvalues.

Since the two coordinate number operators commute, use the product eigenstates $|n_x,n_y⟩$. Their energy eigenvalues areAt fixed $N=n_x+n_y$, the allowed pairs are $(0,N),(1,N-1),\dots ,(N,0)$. Thus the energy level $E_N=(N+1)\hslash \omega$ has quantum degeneracy $N+1$, and the ground-state energy is $\hslash \omega$.

The quantum harmonic oscillator describes a particle of mass $m>0$ in a quadratic potential energy with angular frequency $\omega >0$. In the position representation its Quantum Hamiltonian isThe model is useful far beyond a literal spring: a Taylor series about a stable equilibrium with positive potential curvature has this quadratic term as its leading nonconstant approximation. The pure quartic oscillator has zero curvature at its minimum, so that particular approximation does not apply. ^[ref].

In units with $\hslash =1$, creation and annihilation operators giveHere $N$ is the number operator. Restoring the reduced Planck constant, the energy eigenvalues are $E_n=\hslash \omega (n+1/2)$ for $n=0,1,2,\dots$: neighboring levels are separated by $\hslash \omega$, and the ground-state energy is the zero-point energy $\hslash \omega /2$.

With length scale $\ell =\sqrt{\hslash /(m\omega )}$ and dimensionless coordinate $u=x/\ell$, the ground state is the normalized Gaussian wave packetFor $\hslash =m=\omega =1$, this is precisely the $a=1$ trial wavefunction in the quantum variational principle. The balance of kinetic energy and potential energy therefore recovers the exact ground-state energy using only Gaussian integrals.

The quantum variational principle estimates the lowest energy by choosing a trial wavefunction and computing its expectation value, without solving the Schrödinger equation exactly. Minimizing over a manageable family of trial wavefunctions gives an upper bound; enlarging that family can improve the estimate.

Let $H$ be a self-adjoint operator bounded below, and put $E_{\ast }=\inf \sigma (H)$. For $\Vert \psi \Vert =1$ in its operator domain $D(H)$,Trial states may also lie in the form domain $Q(H)=D((H-bI{)}^{1/2})$, where $b\le E_{\ast }$. Then use the quadratic form of a positive quantum Hamiltonian shifted by $b$:This extends the expectation value beyond $D(H)$ without requiring $H\psi$ to exist. Equality for a normalized state holds exactly in the energy eigenspace at $E_{\ast }$, if that eigenvalue exists. ^[ref].

A short proof makes the direction of the bound memorable. If $H$ has a complete orthonormal basis of energy eigenstates ${\varphi }_n$, writeThe expectation value is a weighted average of allowed energies:Equality requires every occupied energy eigenstate to have energy $E_{\ast }$. ^[ref]. With continuous spectrum, the spectral theorem replaces the sum by an integral against the scalar spectral measure; the same nonnegative-difference argument works.

For an unnormalized trial wavefunction, divide by its squared norm: $R_H[\psi ]=q_H[\psi ]/\Vert \psi {\Vert }^2$ is the form version of the Rayleigh quotient. The quantum variational principle supplies an upper bound on $E_{\ast }$; it supplies neither a lower bound on $E_{\ast }$ nor, by itself, a guarantee that a bound state exists.

To see the method at work, choose the real Gaussian wave packetThe Gaussian integral gives wavefunction normalization and the two useful position averages:Thus its position probability density is a normal distribution with standard deviation $1/\sqrt{2a}$: large $a$ means narrow confinement. In units $\hslash =m=1$, integration by parts and ${\psi }_a^{\prime }=-ax{\psi }_a$ give the kinetic energyThese smooth, rapidly decaying trial wavefunctions belong to the operator domains of both polynomial Quantum Hamiltonians below. Narrowing the Gaussian wave packet increases its kinetic energy; widening it increases the potential energy in either confining potential.

For the quantum harmonic oscillator, take $\hslash =m=\omega =1$:The trial values at $a=1/2,1,2$ are respectively $0.625,0.5,0.625$. The derivative $E_{\mathrm{ho}}^{\prime }(a)=(1-a^{-2})/4$ changes sign at $a=1$, where kinetic energy and potential energy are both $1/4$. Here the trial family contains an exact ground state:The zero-point energy remains positive even at the best width. For comparison, removing the potential leaves $E(a)=a/4\to 0$ as $a\to 0$: the free Quantum Hamiltonian on the line has spectral bottom zero but no normalizable zero-energy energy eigenstate. A sequence of ever broader trial wavefunctions need not approach an actual bound state.

For a pure quartic oscillator, keep $\hslash =m=1$ and set the quartic coefficient to one:The trial values at $a=1,2,3$ are respectively $1,0.6875,0.833333\dots$. Setting the derivative to zero givesThe sign of this derivative changes from negative to positive at the optimum, giving the smallest energy within this Gaussian wave packet family:At this width, $⟨T⟩\approx 0.454280$ and $⟨V⟩\approx 0.227140$, so $2⟨T⟩=4⟨V⟩$, as expected from the power-law quantum virial theorem for a scale-optimized trial wavefunction. The number $0.681420$ is an upper estimate of the ground-state energy, not an asserted exact energy eigenvalue. Indeed,depends on $x$ for every $a>0$, so no member of this trial family is an energy eigenstate. Nevertheless, a single width parameter already turns a difficult Schrödinger equation into a useful, explicit energy estimate.

The variational method estimates the lowest energy of a Quantum Hamiltonian by choosing a trial wavefunction, evaluating its energy, and optimizing the trial parameters. It uses the quantum variational principle, the Rayleigh-Ritz variational principle expressed for quantum states. Let $H$ be a self-adjoint operator bounded below, and define $E_0=\inf \sigma (H)$, the bottom of its spectrum. Every normalized admissible trial quantum state satisfiesWhen $E_0$ is an energy eigenvalue, it is the ground-state energy; equality holds precisely for a quantum state in the ground-state subspace. Otherwise the bottom of the spectrum need not be attained by any normalizable wavefunction.

Admissible means finite form energy. Choose a real $b\le E_0$ and use the shifted quadratic form of a positive quantum Hamiltonian:The form domain $Q(H)$ is independent of this choice of $b$ and can be larger than the operator domain $D(H)$. For $\psi \in D(H)$, $E_{\psi }=⟨\psi ,H\psi ⟩$ is the usual expectation value; for nonzero unnormalized trials, divide $q_H[\psi ]$ by $\Vert \psi {\Vert }^2$ to get the form version of the Rayleigh quotient. See the quantum variational principle for the general domain justification.

Thus each trial energy is an upper bound on $E_0$, and minimizing within a trial family improves that upper bound. It is not a lower bound on $E_0$. The Gaussian variational energy for the harmonic oscillator reaches $E_0=1/2$ because its family contains an exact ground state. The exact variational solution in a two-level system makes the equality condition visible as vanishing excited-state probability amplitude.

The method is useful when solving the Schrödinger equation exactly is difficult but integrals of a trial wavefunction are tractable. Enlarging a trial family cannot increase its optimal energy, although an optimum need not be attained. The beauty is that even an imperfect trial gives a rigorous bound, provided its form energy is computed exactly: numerical integration errors require separate control. The Gaussian variational estimate for a solvable sextic potential provides an existing example beyond a quantum harmonic oscillator.

A short proof explains the direction. With a complete orthonormal eigenbasis of energy eigenstates, write $\psi ={\sum }_n{c}_n{\varphi }_n$, where $H{\varphi }_n=E_n{\varphi }_n$ and ${\sum }_n|c_n{|}^2=1$. ThenThis is a weighted mean of nonnegative energy differences; equality requires every occupied energy eigenstate to have energy $E_0$. ^[ref]. For continuous spectrum, the spectral theorem replaces the sum by an integral against the scalar spectral measure of $\psi$, with the same nonnegative integrand. This proves the bound without assuming an orthonormal eigenbasis exists.

The historical setting predates quantum mechanics: Rayleigh's The Theory of Sound, volume I, appeared in 1877, and Ritz's paper on solving variational problems of mathematical physics appeared in volume 135 of Crelle's journal, catalogued by its publisher as 1909, pp. 1–61. These are original works associated with the Rayleigh-Ritz method; the dates here identify the publications rather than assert priority. ^[ref]; ^[ref].