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For any nonzero vector $y\in {\mathbb{R}}^k$, orthonormality gives $\Vert Q_{k}y{\Vert }_2=\Vert y{\Vert }_2>0$. Since $A$ is a symmetric positive-definite matrix,The preceding part already gives symmetry, so $T_k$ is a symmetric positive-definite matrix. In fact the spectral theorem gives the useful boundswhich place its eigenvalues between the smallest and largest eigenvalues of $A$.

The spectral theorem for compact self-adjoint operators used here concerns a compact self-adjoint operator: its nonzero eigenvalues are real, have finite multiplicity and can accumulate only at zero; the orthogonal complement of its kernel is the closed span of its orthonormal eigenvectors. Self-adjointness is essential for this eigenbasis statement.

Let $Kf$ be the unique zero-parameter weak solution. Uniqueness gives linearity. Testing with $Kf$ and using coercivity gives $\Vert Kf{\Vert }_{H^1}\le {\nu }^{-1}\Vert f{\Vert }_2$. The Rellich-Kondrachov theorem makes the embedding $H_0^1(\Omega )\hookrightarrow L^2(\Omega )$ compact on this bounded $C^1$ domain, so $K$ is compact on $L^2$. Symmetry givesIt is self-adjoint and positive. It is injective: if $Kf=0$, the weak equation pairs $f$ to zero with all $H_0^1$ tests, dense in $L^2$, so $f=0$. Moreover $⟨Kf,f⟩=B[Kf,Kf]>0$ for $f\ne 0$.

The parameter equation is equivalent to $u=K(f+\lambda u)$, that isA solution of this operator equation in $L^2$ lies in $H_0^1$, because its right-side representation is $K(f+\lambda u)$, and the equivalence follows in both directions. For $\lambda \le 0$, the form $B[u,v]-\lambda ⟨u,v⟩$ remains coercive; the preceding minimization argument gives a unique weak solution.

The spectral theorem now supplies a complete orthonormal basis $({\varphi }_j)$ of $L^2$ with $K{\varphi }_j={\kappa }_j{\varphi }_j$, ${\kappa }_j>0$, and ${\kappa }_j\to 0$. The elliptic eigenvalues are ${\lambda }_j=1/{\kappa }_j>0$, with finite multiplicity and tending to infinity, and $L{\varphi }_j={\lambda }_j{\varphi }_j$ weakly. If $\lambda$ is not one of them, thenThis converges even in $H_0^1$: its squared energy norm is ${\sum }_j{\lambda }_j|⟨f,{\varphi }_j⟩{|}^2/|{\lambda }_j-\lambda {|}^2$, finite because the multiplier is bounded over $j$. Partial sums solve the weak equation with the corresponding $L^2$ projections of $f$. Passing to the limit proves the equation for every test; the same coefficients force uniqueness. Thus the expansion represents the unique weak solution away from the elliptic eigenvalues.

A density operator describes both a quantum state prepared in one pure state and a statistical preparation whose members occupy different pure states. If normalized vectors $|{\psi }_i⟩$ occur with probabilities $p_i$, defineThe resulting operator is Hermitian, positive semidefinite and has trace one. Positivity follows because $⟨v|\rho |v⟩={\sum }_i{p}_i|⟨{\psi }_i|v⟩{|}^2\ge 0$. Conversely, the spectral theorem gives such a representation of any finite-dimensional operator with these properties, using its eigenvectors and eigenvalues. The matrix representing $\rho$ depends on the chosen basis; the operator and its predictions do not.

One operator gives every measurement probability. For a projective measurement with orthogonal projections ${\Pi }_a$ and outcomes $a$,For example, the first formula follows by averaging $⟨{\psi }_i|{\Pi }_a|{\psi }_i⟩$ over the preparation. The trace expression is basis independent. A general measurement replaces ${\Pi }_a$ by positive measurement effects that sum to the identity, without changing the probability formula. Thus $\rho$ specifies the statistics accessible to measurements on that system.

The distinction between pure and mixed states is especially transparent in the eigenvalues. A pure state has $\rho =|\psi ⟩⟨\psi |$, ${\rho }^2=\rho$, and $\mathrm{Tr}{\rho }^2=1$. A mixed state has at least two positive eigenvalues and $\mathrm{Tr}{\rho }^2<1$. For a qubit,pure states lie on the Bloch sphere; mixed states lie inside the Bloch ball. The maximally mixed qubit $\rho =I/2$ can be prepared by choosing equally between the two $z$ spin eigenstates, or equally between the two $x$ spin eigenstates. These ensembles are different preparation procedures but give the same density operator. No measurement on the resulting qubit alone can identify which ensemble was used.

quantum coherence must be distinguished from merely having two populated levels. In the $z$ basis, the state $|+x⟩$ hasBoth give equal probabilities for the two $z$ outcomes. A measurement along $x$ gives the positive result with probability one for the first state and one half for the second. The off-diagonal entries encode the relative phase information responsible for this difference. Whether a matrix entry is off diagonal is basis dependent; purity is not.

For an isolated system, each component evolves with the same unitary time-evolution operator. Therefore $\rho (t)=U(t)\rho (0)U^{†}(t)$ andUnitary evolution preserves the eigenvalues and purity of $\rho$. A density operator commuting with a time-independent Hamiltonian operator is stationary. A thermal equilibrium example is the canonical ensemble ${\rho }_{\beta }=e^{-\beta H}/Z$, where $Z=\mathrm{Tr}(e^{-\beta H})$ and $\beta =1/(k_{\mathrm{B}}T)$. expectation values then reproduce quantum statistical mechanics without assigning the system a definite energy eigenstate on every run.

A mixed state can also arise without classical randomness in the joint preparation. For a bipartite quantum system, the reduced density operator ${\rho }_A={\mathrm{Tr}}_B{\rho }_{AB}$ gives every measurement probability accessible to subsystem $A$. For the Bell state $(|00⟩+|11⟩)/\sqrt{2}$, the joint state is pure, whereas ${\rho }_A=I/2$. Its local mixedness reflects entanglement with the inaccessible system; the partial trace discards correlations that matter for joint measurements. More generally, interaction with an environment can suppress off-diagonal entries in a selected basis, producing decoherence while the combined system still evolves unitarily.

Finally, state evolution conditional on a measurement outcome differs from isolated evolution. An ideal projective measurement yielding $a$ updates the state by the Lüders rule $\rho \mapsto {\Pi }_a\rho {\Pi }_a/P(a)$. Discarding the outcome gives ${\sum }_a{\Pi }_a\rho {\Pi }_a$, which generally removes coherence between different eigenspaces. The Von Neumann entropy $-\mathrm{Tr}(\rho \ln \rho )$ quantifies mixedness: it vanishes for pure states and reaches $\ln d$ for $I/d$. Multiplying by $k_{\mathrm{B}}$ gives thermodynamic entropy units. These uses make the density operator a common language for preparation uncertainty, measurement, thermal states and entangled subsystems, while retaining their distinct physical origins.

If $\hat{A}|a⟩=\lambda |a⟩$, the Hermitian operator property makes $\lambda$ real. Applying the operator identity to this eigenvector gives ${\lambda }^3=1$. Its only real root is $\lambda =1$; the other cube roots of unity are nonreal. In an orthonormal eigenbasis, $\hat{A}={\sum }_a|a⟩⟨a|=\boxed{\hat{I}}$. Equivalently, the spectral theorem places the entire spectrum of the self-adjoint observable at one, giving the same conclusion. The quantum-mechanical setting assumes the usual well-defined observable and operator domains.

A Hermitian operator satisfies the adjoint symmetry conditionfor vectors in its specified domain. For a finite matrix this means $A=A^{†}$. For an unbounded differential operator, boundary conditions and domains matter: symmetry on a chosen domain is not alone sufficient for self-adjointness. Physical observables require the corresponding self-adjoint operator and its spectral measure. This distinction prevents purely formal integration by parts from being mistaken for a complete operator definition.

Real eigenvalues. If $A|a⟩=a|a⟩$ with nonzero norm, Hermiticity impliesso $a=a^{\ast }$. Thus eigenvalues representing measurement outcomes are real.

Orthogonality. For eigenvectors $|a⟩,|b⟩$,Hence $(a-b)⟨b|a⟩=0$, and distinct eigenvalues have orthogonal eigenvectors. Within a degenerate eigenspace, Gram-Schmidt orthogonalization can choose an orthonormal basis. In finite dimensions the spectral theorem gives a complete orthonormal eigenbasis andwhere $P_a$ projects onto each eigenspace. In infinite dimensions a continuous spectrum may require a spectral integral rather than a normalizable eigenvector for every possible outcome; a position operator on the full line is a familiar example.

Measurements and probabilities. In the discrete case the Born rule assigns probability $⟨\psi |P_a|\psi ⟩$ to the outcome $a$. For a nondegenerate eigenbasis, $|\psi ⟩={\sum }_a{c}_a|a⟩$ gives probabilities $|c_a{|}^2$, withThe variance vanishes precisely when the state lies in an eigenspace with a single sharp outcome. A repeatable ideal projective measurement prepares the corresponding eigenspace; superpositions of different eigenvalues do not have a preassigned sharp value of that observable in this description.

Compatibility and dynamics. Commuting Hermitian matrices admit simultaneous diagonalization, permitting a common set of sharp labels. For example $L^2,L_z$ commute, whereas $L_x,L_y$ do not. In the differential-operator setting the corresponding spectral compatibility requires appropriate domain conditions. Noncommuting observables obey the Robertson uncertainty principleThe canonical commutation relation then gives $\Delta x\Delta p\ge \hslash /2$.

The Hamiltonian operator represents energy. A self-adjoint $H$ generates unitary time evolution, $U(t)=e^{-iHt/\hslash }$, preserving norm and total probability; its eigenvalues determine stationary-state phases and transition energies. Hermiticity supplies real outcomes and orthogonal eigenspaces, while self-adjointness and the spectral theorem make these measurement and evolution rules mathematically complete.

For a nonzero quantum state $\psi$ and a self-adjoint operator $A$, the expectation value and standard deviation of its measurement areThe squared deviation is also called the variance of the observable. All displayed products are understood on quantum states for which the relevant moments exist. Self-adjointness gives $\overline{⟨\psi ,A\psi ⟩}=⟨A\psi ,\psi ⟩=⟨\psi ,A\psi ⟩$, so $a$ is real. Expanding the squared norm gives the variance expression. A norm is nonnegative and is zero exactly for the zero vector, hence ${\Delta }_{\psi }(A)=0$ precisely when $A\psi =a\psi$. Thus zero dispersion is equivalent to being an eigenstate.

For bounded $H$, the operator exponential is the norm-convergent power seriesFor a general unbounded self-adjoint Hamiltonian operator, the spectral theorem defines the same notation byThis definition does not require the power series to converge on every quantum state. complex conjugation of the spectral multiplier gives $U_t^{\ast }=U_{-t}$, and multiplication of the phases gives $U_{-t}{U}_t=I$. Thus $U_t$ is unitary, preserves the quantum state norm, and has $U_0=I$.

For initial data in the domain of $H$, differentiating the spectral expression yields ${\partial }_t{U}_t{\psi }_0=-(i/\hslash )H{U}_t{\psi }_0$. Consequentlysolves the Schrödinger equation with the prescribed initial quantum state. Uniqueness follows by differentiating $U_{-t}{\psi }_t$: the two terms cancel, leaving the constant ${\psi }_0$.

In the two-dimensional energy basis, expand the initial quantum state as ${\psi }_0=c_1{\Psi }_1+c_2{\Psi }_2$. Each energy eigenvector receives its own phase under the operator exponential, givingThis is the general solution because every initial vector has a unique basis expansion.

In that orthonormal basis the other observable has the real symmetric matrixIts conjugate transpose equals itself, so it is self-adjoint. Also $A^2=I$ and $\mathrm{tr}A=0$, giving eigenvalues $+1$ and $-1$. Direct substitution gives the normalized orthogonal eigenvectorsAn irrelevant global phase may multiply either vector. With the chosen lower eigenstate initially,The Born rule says that the probability for the higher eigenstate is $|⟨v_{+},{\psi }_t⟩{|}^2$. Its amplitude is $\sin \alpha \cos \alpha (e^{-it{E}_2/\hslash }-e^{-it{E}_1/\hslash })$. Using $|e^{-iu}-e^{-iv}{|}^2=4{\sin }^2((u-v)/2)$ givesThis is the transition probability for a rotated two-level observable. Its time dependence comes from the relative phase between two energy eigenstates. If their energies coincide, or if the measured observable has the energy eigenvectors as its eigenvectors, this transition probability is zero at all times.

Choose an orthonormal eigenbasis $H_0|n⟩=E_n|n⟩$ and the phase convention $⟨0|{\psi }^{\prime }⟩=0$. Comparing coefficients of the eigenvalue equation at first order yieldsProjecting onto $|0⟩$ and the other eigenvectors givesProjection of the next-order equation onto $|0⟩$ givesThese are coefficients of the printed series, so $E^{\prime \prime }$ denotes the quadratic coefficient rather than the second derivative itself. Without a phase convention an arbitrary purely imaginary multiple of ${\psi }_0$ can be added to the first vector correction. Continuous spectrum, if present, requires the corresponding spectral integral; the oscillator has a discrete complete eigenbasis.

Put $K=m{\omega }^2/2$ and let $g(x)=(2\pi {\sigma }^2{)}^{-1/2}{e}^{-x^2/(2{\sigma }^2)}$ denote the ground-state density. Then $H^{\prime }=K(a^2-x^2)1_{[-a,a]}$ and $p={\int }_{-a}^{a}g(x)dx$. Because $g^{\prime }=-xg/{\sigma }^2$, integration by parts yieldsThus the two first-order shifts areThe first is the supplied ground-state expression; the second follows because the excited-state density is $x^{2}g/{\sigma }^2$, so $E_1^{\prime }=K(a^2{I}_2-I_4)/{\sigma }^2$.

Subtracting, and using $K{\sigma }^2=\hslash \omega /4$, givesThe bracket is zero at $a=0$, tends to one at infinity, and has derivative $2a^{2}g(a)/{\sigma }^2\ge 0$. Therefore the first-order predicted level gap isFor every $\lambda >2$ it becomes negative for all sufficiently large $a$, crossing when $p-2ag=2/\lambda$. It is still positive at $a=0$: the stated conclusion must be read with the large-$a$ regime, rather than for every interval width.

For $\lambda >1$ the inner potential curves downward, placing a central barrier between two symmetric minima at $\pm a$. The even unperturbed ground state has its greatest density at the central barrier, while the odd first excited state has a node there and is less penalized. This explains the relative first-order shifts. A negative predicted gap signals failure of that perturbation approximation, not inversion of the exact lowest two states: the true one-dimensional ground state remains nodeless and even, with the odd state above it. At a high barrier the actual low levels instead form a close double-well pair. The apparent level crossing from a finite-interval oscillator perturbation is useful precisely as a diagnostic of the approximation's range.

Choose an orthonormal eigenbasis $H_0|n⟩=E_n|n⟩$ and the phase convention $⟨0|{\psi }^{\prime }⟩=0$. Comparing coefficients of the eigenvalue equation at first order yieldsProjecting onto $|0⟩$ and the other eigenvectors givesProjection of the next-order equation onto $|0⟩$ givesThese are coefficients of the printed series, so $E^{\prime \prime }$ denotes the quadratic coefficient rather than the second derivative itself. Without a phase convention an arbitrary purely imaginary multiple of ${\psi }_0$ can be added to the first vector correction. Continuous spectrum, if present, requires the corresponding spectral integral; the oscillator has a discrete complete eigenbasis.

Put $K=m{\omega }^2/2$ and let $g(x)=(2\pi {\sigma }^2{)}^{-1/2}{e}^{-x^2/(2{\sigma }^2)}$ denote the ground-state density. Then $H^{\prime }=K(a^2-x^2)1_{[-a,a]}$ and $p={\int }_{-a}^{a}g(x)dx$. Because $g^{\prime }=-xg/{\sigma }^2$, integration by parts yieldsThus the two first-order shifts areThe first is the supplied ground-state expression; the second follows because the excited-state density is $x^{2}g/{\sigma }^2$, so $E_1^{\prime }=K(a^2{I}_2-I_4)/{\sigma }^2$.

Subtracting, and using $K{\sigma }^2=\hslash \omega /4$, givesThe bracket is zero at $a=0$, tends to one at infinity, and has derivative $2a^{2}g(a)/{\sigma }^2\ge 0$. Therefore the first-order predicted level gap isFor every $\lambda >2$ it becomes negative for all sufficiently large $a$, crossing when $p-2ag=2/\lambda$. It is still positive at $a=0$: the stated conclusion must be read with the large-$a$ regime, rather than for every interval width.

For $\lambda >1$ the inner potential curves downward, placing a central barrier between two symmetric minima at $\pm a$. The even unperturbed ground state has its greatest density at the central barrier, while the odd first excited state has a node there and is less penalized. This explains the relative first-order shifts. A negative predicted gap signals failure of that perturbation approximation, not inversion of the exact lowest two states: the true one-dimensional ground state remains nodeless and even, with the odd state above it. At a high barrier the actual low levels instead form a close double-well pair. The apparent level crossing from a finite-interval oscillator perturbation is useful precisely as a diagnostic of the approximation's range.

By the spectral theorem a symmetric positive-definite matrix $C$ has $C=Q\mathrm{diag}(c_i)Q^{\mathsf{T}}$, with $Q$ orthogonal and $c_i>0$. Define $S=Q\mathrm{diag}(\sqrt{c_i})Q^{\mathsf{T}}$. It is symmetric positive-definite and $S^2=C$. For uniqueness, any symmetric positive-definite square root $T$ commutes with $C=T^2$, hence preserves each eigenspace of $C$. On its $c$-eigenspace, $T$ is symmetric positive-definite and all its eigenvalues have square $c$, so all equal $\sqrt{c}$. Therefore $T=S$, including repeated eigenspaces.

For $\det F>0$, putThen $R^{\mathsf{T}}R=I$ and $\det R=\det F/\det U>0$, so $R\in SO(3)$; also $F=RU=VR$. Any other right polar decomposition has $F^{\mathsf{T}}F=U^2$, so uniqueness of the positive root fixes $U$ and then $R$. The left factor is consequently fixed too.

The principal stretches $v_i$ are the positive eigenvalues of $U$, equivalently the singular values of $F$. For a unit vector $N={\sum }_i{c}_i{N}_i$ in an orthonormal eigenbasis of $U$,Thus $\boxed{\underset{|N|=1}{\max }|FN|=v_{\max }}$, attained precisely by the unit vectors in the eigenspace of $U$ belonging to $v_{\max }$. With a simple largest eigenvalue these are its two opposite unit eigenvectors; degeneracy allows every unit combination within that eigenspace.

For the simple shear,A line with nonzero direction $N$ keeps its length exactly whenHence $\boxed{N_2=0\text{or}2N_1+\gamma N_2=0}$, with $N_3$ arbitrary. Every segment in the cube parallel to one of these directions preserves length; there is no restriction on its starting point other than remaining in the cube.

The two in-plane stretches are $v_{\pm }=(\sqrt{4+{\gamma }^2}\pm \gamma )/2$, and the third is one. A maximizing direction for $\gamma >0$ is $N\parallel (1,v_{+},0)$, since the $C$ eigenvalue equation gives $N_2/N_1=(v_{+}^2-1)/\gamma =v_{+}$. Therefore $\boxed{N\to \pm (1,1,0)/\sqrt{2}}$ as $\gamma \downarrow 0$. At exactly zero shear all directions tie; the limit refers to the selected maximizing direction for positive shear. These are the length-preserving directions and principal directions of simple shear.

A quantum state ensemble of normalized states $|{\psi }_i⟩$, with probabilities $p_i\ge 0$ and ${\sum }_i{p}_i=1$, has density operatorIt is a positive semidefinite Hermitian operator with trace one, and the Born rule assigns a measurement outcome with projector $\Pi$ the probability $\mathrm{Tr}(\rho \Pi )$.

A pure state has $\rho =|\psi ⟩⟨\psi |$, hence ${\rho }^2=\rho$ and purity of a density operator $\mathrm{Tr}({\rho }^2)=1$. Its only nonzero eigenvalue is one. A mixed state has at least two nonzero eigenvalues and $\mathrm{Tr}({\rho }^2)<1$. The spectral theorem proves the converse criteria, since the nonnegative eigenvalues sum to one. Different quantum state ensembles may give the same density operator; the mere presence of several terms in a preparation list does not make the state mixed if all positive-weight terms represent the same quantum state ray.

The spectral theorem for a Hermitian matrix gives a unitary diagonalizer $V$ with $V\Phi V^{†}=\mathrm{diag}(x_1,\dots ,x_5)$ and real $x_i$. Similarity preserves the trace, so ${\sum }_i{x}_i=0$.

To ensure that the diagonalizer belongs to SU(5) rather than only the unitary group $U(5)$, write $\det V=e^{i\alpha }$ and put $U=e^{-i\alpha /5}V$. Its determinant is one, and the scalar phase cancels from its conjugation action. ThusThe same argument shows why no additional reality condition beyond Hermiticity is needed. Permuting the real eigenvalues merely changes their order in the diagonal form.

The spectral theorem for normal operators gives a unique decompositionwhere $A_{+},A_{-}\ge 0$ and their supports are orthogonal. They are called the positive and negative parts of $A$. If $\mathrm{Tr}A=0$, then $\mathrm{Tr}{A}_{+}=\mathrm{Tr}{A}_{-}=\Vert A{\Vert }_1/2$.

Let $B$ be a finite-dimensional Hermitian matrix and $a<b$ real. The spectral theorem gives $v={\sum }_j{c}_j{x}_j$ in an orthonormal eigenbasis, soIf the spectrum avoids the closed interval, every factor product is positive. Consequently the quadratic form is positive for $v\ne 0$ and zero for $v=0$. More precisely it is bounded below by ${\min }_j[({\lambda }_j-a)({\lambda }_j-b)]\Vert v{\Vert }^2$. This is a finite-dimensional instance of testing a spectral gap with a polynomial in the operator.

The purity of a density operator is $\gamma =\mathrm{Tr}({\rho }^2)$. It equals one exactly for a pure state; in finite dimension $d$ it lies between $1/d$ and $1$. The minimum occurs exactly at the maximally mixed state $I/d$.

A worked qubit family interpolates between the mixed state $I/2$ and the pure state ${\rho }_{+}=|+⟩⟨+|$, where $|+⟩=(|0⟩+|1⟩)/\sqrt{2}$:The eigenvectors are $|\pm ⟩=(|0⟩\pm |1⟩)/\sqrt{2}$, with eigenvalues ${\lambda }_{\pm }=(1\pm p)/2$. Squaring and summing these eigenvalues givesHere $P_X(+)$ is the Born rule probability of the positive outcome in an $X$ projective measurement. The Bloch vector is $(p,0,0)$, since ${\rho }_p=(I+p{\sigma }_x)/2$ with ${\sigma }_x$ one of the Pauli matrices. At $p=0$ the purity is $1/2$; at $p=1/2$ it is $5/8$, with $P_X(+)=3/4$; at $p=1$ it is one. Within this family, $p=1$ is a pure state and every $p<1$ is a mixed state. Extending the formula to $p>1$ produces a negative eigenvalue $(1-p)/2$, so it ceases to be a density operator despite remaining Hermitian with trace one.

The Bloch vector length measures polarization: for any qubit density operator, $\gamma =(1+|\mathbf{r}{|}^2)/2$. This connects the interior of the Bloch ball with mixed states and its boundary, the Bloch sphere, with pure states. ^[ref]

For a short proof of the general bound, use the spectral theorem: the nonnegative eigenvalues ${\lambda }_j$ sum to one, so $\gamma ={\sum }_j{\lambda }_j^2$. ThenThe lower bound is attained only when all eigenvalues equal $1/d$; the upper bound is attained only when exactly one eigenvalue is nonzero, and hence equals one. Purity is therefore a simple quantitative test of mixedness, invariant under a unitary operator. It does not specify the entire density operator: even distinct pure states all have purity one. ^[ref]

A quantum Gibbs state is the density operator of a canonical ensemble with inverse temperature $\beta =1/(k_{B}T)$. It exists when the canonical partition function $Z=\mathrm{Tr}(e^{-\beta H})$ is finite. The spectral theorem assigns probabilities $e^{-\beta E_j}/Z$ to an orthonormal eigenbasis of the Hamiltonian. An additive constant in the Hamiltonian cancels between numerator and denominator. For $H=-\mu B{\sigma }_z$, the exponential of a Pauli vector, continued to an imaginary argument, gives ${\rho }_{\beta }=[I+\tanh (\beta \mu B){\sigma }_z]/2$.

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 Schrödinger equation governs the evolution of a quantum state between instances of measurement in quantum mechanics. For a particle of mass $m>0$ moving in a prescribed real potential energy $V(\mathbf{r},t)$, its position wavefunction satisfiesHere $h$ is the Planck constant, ${\nabla }^2$ is the Laplace operator, and the Hamiltonian operator combines kinetic energy with potential energy. Specify an initial wavefunction, an operator domain and any boundary conditions: the differential expression alone does not completely specify a physical model. The Born rule then turns the evolving probability amplitude into position probabilities through $\rho =|\psi {|}^2$ and integration over a region.

This scalar Schrödinger operator describes nonrelativistic quantum mechanics, with relevant momenta much smaller than $mc$, where $c$ is the speed of light. It omits the constant rest energy $m{c}^2$, assumes fixed particle number, and suppresses active spin dynamics and coupling to a magnetic vector potential. A free electron with a fixed, uncoupled spin state can still use this scalar model; the Pauli equation supplies the additional spin components and magnetic coupling when needed. A prescribed real $V$ describes a closed evolution model or an approximation in which the source of that potential energy is treated as external. Dissipation, particle creation and a general measurement in quantum mechanics need further modelling.

For a time-independent self-adjoint Hamiltonian operator, the spectral theorem defines unitary time evolution byInitial states in the operator domain satisfy the differential equation in the Hilbert space sense; the unitary operator also evolves all other states in that Hilbert space. Time-dependent Hamiltonian operators need suitable regularity and domain hypotheses; their evolution is not generally the exponential of $-itH(t)/\hslash$.

The local reason for conservation is especially tangible. Multiply the Schrödinger equation by the complex conjugate ${\psi }^{\ast }$, subtract its conjugate multiplied by $\psi$, and use the fact that the real potential energy terms cancel. For smooth wavefunctions this gives the probability continuity equationThe divergence theorem identifies the change in probability inside a region with minus the outward probability current. Decay at infinity, or appropriate probability-conserving boundary conditions, preserves wavefunction normalization. Conservation of total probability does not require a stationary probability density.

Its usefulness comes from being a linear partial differential equation: quantum superpositions of solutions are solutions, while different quantum phases can produce interference. For a fixed Hamiltonian operator, the time-independent Schrödinger equation finds the energy eigenstates; each then acquires just its own time-dependent quantum phase. One eigenvalue problem therefore organizes both allowed energies and the evolution of arbitrary quantum superpositions, with a continuous spectrum included when required. This is the attractive bridge between a spatial wave problem and a clock: energy differences determine the rate at which relative quantum phases change. It makes atomic spectral lines, quantum tunnelling and quantum scattering calculable from a specified model.

For an explicit example without confinement, take a free particle on the whole line, $V=0$, initially in a Gaussian wave packet with position standard deviation ${\sigma }_0$ and mean momentum $\hslash k_0$:Unlike a single plane wave, this wavefunction satisfies wavefunction normalization. A Fourier transform writes it as a quantum superposition of plane waves. Their dispersion relation is $\omega (k)=\hslash k^2/(2m)$, so each Fourier component gains the factor $e^{-i\hslash k^{2}t/(2m)}$. Completing the square in the resulting Gaussian integral giveswith the square root chosen continuously from $t=0$. Its position probability density and standard deviation areThe centre moves with the group velocity ${\omega }^{\prime }(k_0)=v_0$ and the wave packet spreads because different wavenumbers have different group velocities. This is unitary wave dispersion, without a random force or loss of probability. Independently, the initial momentum standard deviation is $\Delta p=\hslash /(2{\sigma }_0)$ and the initial position-momentum covariance vanishes. Free evolution gives $x(t)=x(0)+p(0)t/m$ in the Heisenberg picture, henceThis independently checks the spreading law. The Gaussian integral of $\rho$ is one at every time; the decreasing peak is exactly offset by increasing width.