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For any nonzero state, the Rayleigh quotient isExpand $|\psi ⟩={\sum }_n{c}_n|{\psi }_n⟩$ in normalized energy eigenstates. ThenBecause the ground state is unique, equality holds exactly when all coefficients except $c_0$ vanish. Thus the Rayleigh-Ritz variational principle gives its minimum at the ray of $|{\psi }_0⟩$.

For the proposed exact state, write $\tilde{\psi }=e^{-\beta x^n}$. Its logarithmic derivatives giveThe stationary Schrödinger equation, after multiplication by $2m/{\hslash }^2$, isMatching the highest power requires $2n-2=6$, so $n=4$, and cancellation of $x^6$ requires $16{\beta }^2=1$. Normalizability selects $\beta =1/4$. Then $12\beta =3$ also cancels the quadratic term, leaving $\epsilon =2$. ThereforeThis is the exact ground state of a solvable sextic potential candidate $e^{-x^4/4}$.

For the Gaussian trial state ${\psi }_{\alpha }=e^{-\alpha x^2/2}$, normalization cancels from the quotient. With respect to the probability density proportional to $e^{-\alpha x^2}$,HenceThe stationary equation isWriting $z={\alpha }^2$, the quadratic has exactly one positive root,Since the quotient tends to infinity as $\alpha \downarrow 0$ or $\alpha \to \infty$, this is the unique global minimizer. ThusUsing the stationary equation to replace $15/(8{\alpha }_{\ast }^3)$ by ${\alpha }_{\ast }/6+1/(2{\alpha }_{\ast })$ gives the best estimateThis is the Gaussian variational estimate for a solvable sextic potential.

The exact eigenfunction $e^{-x^4/4}$ is positive and has no nodes. The nodeless theorem for a one-dimensional ground state therefore identifies it as the true ground state, with dimensionless energy $2$. The variational value is consistent: since ${\alpha }_{\ast }^2>3/2$,so $E_0^{\ast }>{\hslash }^2/m=E_0$, as every trial-state upper bound must satisfy.

For $\psi ={\sum }_n{\alpha }_n{\varphi }_n$ and an orthonormal trial set,Stationarity subject to ${\alpha }^{†}\alpha =1$ givesThe finite-subspace variational method, equivalently the Rayleigh-Ritz variational principle, says that the minimum quotient is the smallest eigenvalue of $\mathcal{H}$. It is therefore the optimal upper bound on $E_0$ available from this span.

Set $T=A-zI$. The squares of the singular values of $T{P}_n^{\ast }$ are the eigenvalues of the finite-dimensional positive operatorThe Rayleigh-Ritz variational principle and its min-max characterization show that, as the trial space grows, its $(j+1)$-st eigenvalue counted upward cannot increase. Therefore, for each fixed $j\ge 0$,once $n>j$. Being nonnegative, it has a limitThe core assumption ensures that these Ritz limits are the min-max values of $T^{\ast }T$, rather than values for a smaller closed restriction.

For a normal operator, the spectral theorem gives three possibilities.

vanish, while ${\sigma }_{\inf +m}(T)>0$.

For $k\in \mathbb{N}$, defineIn the first case $H_k=0$ for all sufficiently large $k$. In the second case its first $m$ summands tend to one and all remaining summands eventually vanish, so $H_k\to m$. In the third case $H_k=k+1\to +\infty$. These are exactly the three values in the definition of $h$, and hence

Variational formulation. Take real $p,q,w$ with $p,w>0$ in the interval, and impose homogeneous Dirichlet boundary conditions, or other suitable conditions that cancel the boundary terms. The functionalhas Euler-Lagrange equationwhich is equivalent to $-(p{y}^{\prime }{)}^{\prime }+qy-\lambda wy=0$. The same construction is constrained stationarity of the energy $\int [p(y^{\prime }{)}^2+q{y}^2]$ subject to $\int w{y}^2=1$, with $\lambda$ a Lagrange multiplier. For fixed zero endpoint values, the variation vanishes at both ends; homogeneous zero-flux conditions also cancel the boundary term $[2p{y}^{\prime }\delta y{]}_a^b$.

Multiplying the differential equation by $y$ and using integration by parts gives the Rayleigh quotientFor a nonzero admissible trial function, $R[y]\ge {\lambda }_0$ by the Rayleigh-Ritz variational principle. The Rayleigh-Ritz method chooses trial functions satisfying the endpoint conditions, often with adjustable coefficients, and minimizes this quotient over that trial family. Expanding $y=\sum c_n{y}_n$ in a normalized eigenbasis shows why the lower bound holds: $R[y]=\sum {\lambda }_n{c}_n^2/\sum c_n^2$, a weighted average of eigenvalues no smaller than the least one.

Radial quadratic trial. The radial problem becomeswhere the printed endpoint notation $y$ refers to $\psi$. Thus $p=w=r^2$ and $q=0$. At the origin the vanishing $r^2$ and regularity of $\psi$ make the boundary term vanish; the weight must be retained in both numerator and denominator.

For a quadratic $\psi =A+Br+C{r}^2$, the derivative condition sets $B=0$ and the outer condition gives $C=-A$. Overall amplitude cancels in the Rayleigh quotient, so take $\tilde{\psi }=1-r^2$. ThenwhileConsequently

Why the estimate is higher. For a regular radial function put $u=r\psi$. Then $u(0)=u(1)=0$, and direct differentiation transforms the equation to $u^{\prime \prime }+\lambda u=0$. Its first mode is $u=\sin (\pi r)$, corresponding to $\psi =\sin (\pi r)/r$ with its continuous value at the origin. Thus ${\lambda }_0={\pi }^2$. The quadratic trial is not proportional to that Spherical Bessel function, so it has nonzero components in higher modes. Its Rayleigh quotient is therefore strictly larger than ${\pi }^2$, in agreement with $21/2>{\pi }^2$.

Assume the regular real Sturm-Liouville problem, with $p,w>0$, ordered eigenvalues ${\lambda }_0<{\lambda }_1<\cdots$, and real orthonormal eigenfunctions in the weighted inner productThe Rayleigh quotient for an admissible trial function isThe second expression follows by integration by parts. It is the quantity used in the Rayleigh-Ritz method.

For $\tilde{y}=y_0+{\sum }_{n\ge 1}{a}_n{y}_n$, orthonormality eliminates every cross-term in the denominator:Applying $\mathcal{L}$ to the eigenfunction expansion and using the same orthogonality in the numerator givesHence, whenever the trial function has finite energy,Put $S=\sum a_n^2$ and $\Delta =\sum a_n^2({\lambda }_n-{\lambda }_0)$. The exact error and its expansion areIn particular, under a common small scaling $a_n=\epsilon b_n$ with fixed finite sums $\sum b_n^2$ and $\sum b_n^2({\lambda }_n-{\lambda }_0)$,The fourth-order remainder includes mixed products $a_n^2{a}_j^2$, not just individual fourth powers.

Error comparison and sign. Since $\Vert y_0{\Vert }_w=1$, the relative weighted norm error of the supplied trial function isFor ${\lambda }_0\ne 0$, the relative eigenvalue error is $\Delta /(|{\lambda }_0|(1+S))=O({\epsilon }^2)$. Thus the Rayleigh quotient has a second-order error for a first-order error in the trial eigenfunction, provided the energy-weighted coefficient sum is controlled. Small weighted norm error alone does not control arbitrarily high-frequency contamination, because ${\lambda }_n$ can grow without bound. If ${\lambda }_0=0$, an absolute error must replace the undefined relative one.

Finally every summand of $\Delta$ is nonnegative. Thuswith strict inequality whenever some $a_n\ne 0$. This is the upper-bound property of the Rayleigh-Ritz variational principle for the lowest eigenvalue.

Introduce a Lagrange multiplier for the normalization and vary $J[y]={\int }_0^1[p(y^{\prime }{)}^2+q{y}^2-\lambda w{y}^2]dx$. With variation $\eta$ satisfying $\eta (1)=0$, integration by parts givesThe upper endpoint term vanishes, and the lower term vanishes because $p(0)=0$ with the stipulated regular differentiable behavior. More generally the natural endpoint condition is $p{y}^{\prime }\to 0$ there. The fundamental lemma of the calculus of variations gives $(p{y}^{\prime }{)}^{\prime }-qy+\lambda wy=0$, the stated Sturm-Liouville problem.

The Rayleigh-Ritz variational principle estimates the lowest eigenvalue by minimizing $R[y]=\int [p(y^{\prime }{)}^2+q{y}^2]dx/\int w{y}^{2}dx$ over an admissible finite-dimensional trial family. Restricting the family can only raise the minimum.

For the specific radial problem, $p=w=x$ and $q=0$. The trial $y=A(1-x^2)$ has ${\int }_0^{1}x{y}^{2}dx=A^2/6$. Normalization gives $\boxed{A=\sqrt{6}}$, with the negative sign an equivalent choice. The numerator is ${\int }_0^{1}x(2Ax{)}^{2}dx=A^2$, soThis is the quadratic case of the power-law variational bound for a circular membrane. The exact first eigenvalue $5.7815$ is smaller because the polynomial trial is not the exact Bessel function of the first kind eigenfunction. Expanding a trial in the exact orthonormal eigenbasis expresses its Rayleigh quotient as a weighted average of eigenvalues, so no admissible trial can lie below the lowest one.

For nonzero $y$ with $G[y]>0$, the first variation of the Rayleigh quotient under $y\mapsto y+\epsilon h$ isChoose fixed admissible homogeneous boundary conditions that make the variation boundary term vanish, such as zero endpoint values or zero endpoint derivatives. Compactly supported $h$ then show that a stationary function satisfies the Sturm-Liouville equation with $\lambda =\Lambda [y]$. Conversely an eigenfunction satisfying those admissible conditions makes the variation zero. Multiplying its differential equation by $y$ and integrating by parts givesso the stipulated energy boundary term yields $\Lambda [y]=\lambda$. The displayed energy condition alone is not a full specification of the admissible variations; it must be paired with boundary conditions for this variational equivalence.

For the final Dirichlet problem take the trial function $y=\sin x$, with $p=1,q=0,w=x$. ThenThe Rayleigh-Ritz variational principle makes this an upper bound for the lowest eigenvalue. It is strictly above the true value: equality would require $\sin x$ itself to be a lowest eigenfunction, but $y^{\prime \prime }+\lambda xy=(-1+\lambda x)\sin x$ cannot vanish throughout $(0,\pi )$ for a constant $\lambda$. ThereforeAlthough the weight vanishes at the left endpoint, it is positive in the interior and its weighted quadratic norm is positive for every nonzero admissible continuous function; this does not obstruct the stated Dirichlet variational comparison.

Introduce a Lagrange multiplier for the constraint $G=1$ and vary $F-\lambda G$ with $y\mapsto y+ϵ\eta$, where $\eta (a)=\eta (b)=0$. The first variation isThe fundamental lemma of the calculus of variations gives the Sturm-Liouville equation $-(p{y}^{\prime }{)}^{\prime }+qy=\lambda wy$. Multiplying by $y$, integrating by parts and using the endpoint conditions gives $F=\lambda G$. Therefore the normalization implies $\lambda =F$. Assume the coefficient and function regularity needed for these variations and integrations; the condition $w>0$ makes the constraint derivative nonzero at a normalized function.

For the radial problem, set $\sigma =r\psi$. A direct differentiation gives ${\sigma }^{\prime \prime }=r{\psi }^{\prime \prime }+2{\psi }^{\prime }$, soFinite $\psi (0)$ supplies the first boundary value. The Rayleigh quotient is $R[\sigma ]={\int }_0^1{\sigma }^{\prime 2}dr/{\int }_0^1{\sigma }^{2}dr$. For the two trials, ${\sigma }_1=r(1-r)$ and ${\sigma }_2=r(1-r^2)$, the numerator-denominator pairs are $(1/3,1/30)$ and $(4/5,8/105)$, respectively. HenceThe exact eigenvalues are $n^2{\pi }^2$, so $E_{\min }={\pi }^2\simeq 9.86960$. Both trials give upper bounds by the Rayleigh-Ritz variational principle, and the first estimate is more accurate, since it is smaller. Trial admissibility uses the Dirichlet energy form for $\sigma$; the first trial's nonzero radial derivative at the origin does not invalidate this variational calculation.

To improve, add independent trial functions and minimize the quotient over their span. Here merely combining the two supplied trials gives no improvement: their two-dimensional stiffness and mass matrices areThe lowest Ritz value is still ten. Instead add the symmetric quartic $\tau =r^2(1-r{)}^2$. On the span of ${\sigma }_1,\tau$, the generalized eigenvalue problem hasIts determinant is $(E^2-112E+1008)/529200$, so the least root givesThis is strictly better than both original estimates. The symmetry obstruction in a polynomial Rayleigh-Ritz trial space explains why the cubic addition failed while the quartic helps. It is also the shifted-interval version of the polynomial Rayleigh-Ritz trial space for a one-dimensional box.

Use the real weighted inner product $⟨u,v{⟩}_w={\int }_a^{b}wuvdx$ and the energy bilinear form $B(u,v)={\int }_a^b(p{u}^{\prime }{v}^{\prime }+quv)dx$. Integration by parts, the endpoint conditions, and the Sturm-Liouville problem giveThus orthonormality in the stated expansion givesand hence the Rayleigh quotientThe expansion is understood for nonzero admissible functions with finite norm and energy.

For a general endpoint-preserving variation $y+\epsilon \eta$, explicitlysoThe fundamental lemma of the calculus of variations shows that stationarity is exactly the eigenvalue equation with $\lambda =\Lambda$. Conversely an eigenfunction has vanishing first variation and quotient equal to its eigenvalue. Completeness gives the same weighted-average formula for any nonzero admissible expansion, even one with zero ground-state coefficient. Since every ${\lambda }_i\ge {\lambda }_0$,This is the Rayleigh-Ritz variational principle.

For the interval problem, the normalized Dirichlet eigenfunctions and their eigenvalues, with the paper's zero-based indexing, areFor $u=x(1-x)$, direct integration gives $F={\int }_0^1(1-2x{)}^{2}dx=1/3$ and $G={\int }_0^1{x}^2(1-x{)}^{2}dx=1/30$. ThereforeThe sine expansion and Rayleigh quotient of a parabolic Dirichlet trial follow from the coefficient integralConsequently the requested expansion hasEquivalently $u=(8/{\pi }^3){\sum }_{n\ge 1,n\text{ odd}}\sin (n\pi x)/n^3$. In particular $c_1=0$: the first excited eigenfunction $\sqrt{2}\sin (2\pi x)$ is antisymmetric about $1/2$, whereas the trial function is symmetric. Since $10-{\pi }^2>0$, the final ratio is exactlyThe first nonzero correction is $c_2=1/27$, not $c_1$. Reindexing only the nonzero terms would change the meaning of the requested ratio and is not used here.

Use a Lagrange multiplier $\mu$ for the norm constraint. For real variations $u+\delta \eta$ with $\eta (0)=\eta (\pi )=0$, integration by parts givesThus stationarity is equivalent to the Sturm-Liouville problemMultiplying by $u$ and integrating shows $F[u]=\mu G[u]=\mu$, so the constrained stationary values are the eigenvalues, and the normalized stationary functions are their eigenfunctions. Conversely the eigenvalue equation makes the constrained first variation vanish. The self-adjoint operator has weight one.

For $ϵ=0$, zero and negative eigenvalues yield no nonzero solution with both Dirichlet boundary conditions. Positive eigenvalues have solutions $u=A\sin (\sqrt{\lambda }x)$ after the left condition, and the right condition gives $\sqrt{\lambda }=n$, $n\ge 1$. Hence the lowest eigenpair iswhere the amplitude follows from ${\int }_0^{\pi }{\sin }^{2}xdx=\pi /2$.

The Rayleigh-Ritz variational principle bounds the full lowest eigenvalue by $F[Y_1]$. Its derivative contribution is one. For the linear potential, reflection about $\pi /2$ givesThus the sine trial bound for a linear potential on an interval isFor $ϵ>0$ the bound is strict, since $-Y_1^{\prime \prime }+ϵx{Y}_1=(1+ϵx)Y_1$ is not a constant multiple of $Y_1$. Also ${\lambda }_{ϵ}\ge 1$ by the Poincaré inequality and the nonnegative potential. Equality in the upper bound holds at $ϵ=0$.

For a regular self-adjoint problem with a lowest eigenvalue and a complete orthonormal eigenbasis in the weighted inner product, expand an admissible trial function as $\psi ={\sum }_j{c}_j{\psi }_j$. ThenThe Rayleigh-Ritz variational principle therefore provides the upper boundChoose a family satisfying the essential boundary conditions and finite energy, evaluate the quotient, and minimize over its parameters. Enlarging the trial family can only improve or preserve the bound; equality is attained if it includes an exact ground eigenfunction. For a finite linear trial space, this becomes a generalized matrix eigenvalue problem.

The Rayleigh-Ritz variational principle bounds the lowest eigenvalue by the Rayleigh quotient of any nonzero admissible trial function. For $f=1-(r/a{)}^p$, take $p>0$, which ensures boundedness, the outer Dirichlet boundary condition, and finite radial Dirichlet energy. Direct integration givesThereforeThe derivative is $1-2/p^2$, so the unique minimizing positive exponent is $p=\sqrt{2}$. This yields the power-law variational bound for a circular membraneThe optimizing function has zero derivative at the origin and is admissible for the energy principle despite its unbounded second derivative there. For comparison, the exact radial fundamental has $\sqrt{{\lambda }_1}a\simeq 2.404826$, giving ${\nu }_1\simeq 0.382740c/a$. The bound is about $0.39\%$ above this value.

Set $\psi (r)=u(r)/r$ for $r>0$. Direct differentiation gives $(r^2{\psi }^{\prime }{)}^{\prime }=r{u}^{\prime \prime }$, so the radial equation reduces toBoundedness of $\psi$ requires $u(0)=0$, and the wall condition requires $u(a)=0$. The nontrivial solutions are consequentlyTheir origin values are the removable limits $C_{j}j\pi /a$. At $k=0$, the only bounded radial solution is constant and the wall forces it to vanish, so there is no zero mode. The lowest eigenvalue isIt is below $10.5/a^2$, as required by the Rayleigh-Ritz variational principle. The trial value overestimates $k_0^2$ by approximately $\boxed{6.39\%}$.

Assume a complete orthonormal eigenbasis and a self-adjoint operator bounded below, with the trial state in its operator domain or associated energy-form domain. The expansion and orthogonality giveConsequentlyIt is a weighted average of eigenvalues, all at least $E_0$. This is the Rayleigh-Ritz variational principle; equality holds precisely when the trial state lies in the ground-state subspace. A continuous part of the spectrum would require the corresponding spectral integral in place of part of the sum.

For a nonzero admissible radial profile define the radial diffusion Rayleigh quotientMinimizing the numerator subject to ${\int }_0^{1}r{R}^{2}dr=1$ introduces a multiplier $\nu$. The Euler-Lagrange equation for $r\kappa R^{\prime 2}-\nu r{R}^2$ isThe allowed variations vanish at $r=1$, and the natural condition at the centre is zero radial flux. Thus the minimum, when attained, is the smallest decay eigenvalue ${\nu }_0$. Equivalently, expansion in weighted-orthogonal eigenfunctions makes $\mathcal{R}[R]$ a weighted average of their decay eigenvalues. The Rayleigh-Ritz variational principle therefore givesAdmissible trial functions must obey the outer boundary condition, be nonzero and have finite weighted norm and energy; they need not solve the differential equation. If the diffusion operator has no lowest eigenfunction, the same variational argument bounds the infimum of its spectrum. Existence of a fundamental diffusion mode is an additional assumption for strongly vanishing diffusivity, not a consequence of the identity alone.

For constant diffusivity, the trial Rayleigh quotient simplifies toIts derivative is $1-2/q^2$, so its only positive critical point is $q=\sqrt{2}$. The second derivative is $4/q^3>0$; also the quotient diverges as $q\downarrow 0$ or $q\to \infty$. Therefore this is the global optimum within the trial family:The two requested profiles areThe initial radial graph decreases from one at the centre to zero at the rim, has horizontal tangent at the centre, and is concave downward for $0<r<1$. The central temperature decreases exponentially from one to zero, with initial time derivative $-(3+2\sqrt{2})$. These are trial profiles, not exact solutions of the full heat equation. Although the radial trial function is not twice differentiable at the centre, it has finite weighted energy and belongs to the variational trial class used by the Rayleigh-Ritz variational principle.

For the proposed trial profile, $R^{\prime }=-q{r}^{q-1}$. Its weighted energy isThe squared weighted norm isBoth are finite for $q>0$ and $n\ge 0$, and $R(1)=0$. Therefore the Rayleigh-Ritz variational principle givesWhen a fundamental diffusion mode exists, its decay rate is the infimum and is bounded above by this expression.

The existence qualification matters for the full range of $n$ printed in the question. For $n>2$, trial functions concentrated within radius $\epsilon$ have quotient proportional to ${\epsilon }^{n-2}$, proving the loss of a spectral gap under strongly degenerate radial diffusion. The infimum is zero and is not attained, because zero energy together with $R(1)=0$ forces the zero function. Thus there is no positive lowest-mode decay rate in that case. Even at $n=2$, the mode equation is $r^2{R}^{\prime \prime }+3r{R}^{\prime }+\nu R=0$: its characteristic powers are $r^{-1\pm \sqrt{1-\nu }}$, and for $\nu >0$ every nonzero solution is unbounded at the centre. Hence the asserted bounded fundamental mode cannot be assumed for all $n\ge 0$. The trial quotient remains valid, and the next part's $n=0$ case has the usual fundamental mode.

Normalize the Gaussian trial first. The Gaussian integral givesIts second and fourth moments are $⟨x^2⟩=1/(2\alpha )$ and $⟨x^4⟩=3/(4{\alpha }^2)$. Since ${\psi }^{\prime }=-\alpha x\psi$, the kinetic term is $\int ({\psi }^{\prime }{)}^2={\alpha }^2⟨x^2⟩=\alpha /2$. At the specified coupling, the energy is thereforeThe stationary condition isThe quadratic factor is positive for real $\alpha$, so the unique positive stationary width is $\alpha =2$. Also $E^{\prime \prime }={\alpha }^{-3}+9{\alpha }^{-4}>0$ and $E$ diverges at both ends of $\alpha >0$, proving a global minimum within this trial family. Its value isThe associated Sturm-Liouville problem isHere $\rho =1$, $\sigma =x^2+2x^4$ and $w=1$. The Rayleigh-Ritz variational principle makes the exact lowest eigenvalue the minimum over all normalized admissible states. Restricting to Gaussians can only raise this minimum, hence $\boxed{E_0\le 13/8}$. The inequality is strict because $H{\psi }_{\ast }/{\psi }_{\ast }=2-3x^2+2x^4$ is not constant: the trial is not an exact eigenfunction. This is the Gaussian trial for a quadratic-plus-quartic oscillator.

Fix one self-adjoint choice of separated homogeneous Dirichlet boundary conditions or Neumann boundary conditions at each endpoint. The stated product condition then makes the boundary term $[awy{y}^{\prime }{]}_{\alpha }^{\beta }$ vanish. Multiplication of $Ly=\lambda wy$ by $y$ and integration by parts giveHence define the quadratic functionalsand $\Lambda [y]=F[y]/G[y]$ for nonzero admissible $y$. The first expression for $F$ is linear in the operator $L$, and $G$ is linear in the weight $w$.

To prove the minimum statement, expand an admissible function in a complete weighted orthonormal system of eigenfunctions of the Sturm-Liouville problem, $y={\sum }_n{c}_n{y}_n$, with ordered eigenvalues ${\lambda }_0\le {\lambda }_1\le \cdots$. Self-adjointness and orthogonality of Sturm-Liouville eigenfunctions giveEquality is attained by a lowest eigenfunction, soThis is the Rayleigh-Ritz variational principle. The endpoint product condition is shorthand for fixed choices of boundary type: allowing each trial function to choose different endpoint types would not define one fixed self-adjoint eigenvalue problem.