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Two operators on Hilbert spaces are unitarily equivalent if a unitary operator maps their operator domains onto one another and intertwines their actions. Their spectra and eigenvalue multiplicities then agree. For nonnegative self-adjoint operators it suffices that the unitary maps their closed quadratic form domains onto one another and preserves the forms, since the associated operator is determined by the form.

A time-independent Hamiltonian evolves a state by the unitary operator $U(t)=e^{-iHt/\hslash }$.

For a closed quantum system, unitary time evolution changes a quantum state through a unitary operator, preserving norms and inner products. For a time-independent self-adjoint Hamiltonian operator $H$, choose the initial time as zero:Here $\hslash =h/(2\pi )$ is the reduced Planck constant. The same $U(t)$ acts on every initial quantum state; it depends on the Hamiltonian operator and elapsed time, rather than the chosen preparation.^[ref]

The self-adjointness of $H$ makes the exponential a unitary operator. In finite dimension, conjugating its matrix exponential givesThe two exponents commute because both are multiples of $H$. Hence, for any two initial vectors,This short proof explains why normalization survives, why orthogonality of initial vectors survives, and why the transition probability between two states evolved by the same $U$ is unchanged. It does not require that a fixed measurement in quantum mechanics have time-independent probabilities: its measurement basis need not move with the quantum states.

For an unbounded self-adjoint operator, define the exponential through the spectral theorem, rather than assuming that its power series acts on every vector. It is a unitary operator on the entire Hilbert space; the strong Schrödinger equation holds for initial vectors in the operator domain $D(H)$. For a density operator, unitary time evolution reads $\rho (t)=U(t)\rho (0)U(t{)}^{†}$. It preserves eigenvalues and purity of a density operator, but can change its entries in a fixed basis.

The useful distinction is between conserving total probability and conserving each measurement's probabilities. A fixed energy spectrum supplies different ticking rates for different probability amplitudes. Their relative quantum phases can move the Bloch vector and create quantum interference even while every energy eigenstate population stays fixed. Qubit precession under a constant Hamiltonian makes this visible; Ramsey interferometry converts the accumulated relative quantum phase into a population difference that a simple readout can detect.

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].

Every self-adjoint operator on a separable complex Hilbert space is diagonal modulo a compact operator. For a bounded operator the compact self-adjoint error can have arbitrarily small Hilbert-Schmidt norm. In a cyclic spectral representation, partition a bounded real interval into $N$ intervals of width at most $\delta$ and successively bisect. Orthogonal step-function differences give basis vectors supported in the parent intervals. A diagonal value chosen in each support interval gives total squared column error at most $3N{\delta }^2$. Since $N=O({\delta }^{-1})$, this tends to zero. Apply the construction to countably many cyclic summands with summable squared error bounds. For an unbounded operator first split into bounded spectral intervals, obtaining a bounded compact error on the same domain.