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arXiv:2004.01015 · SciPost Physics

Geometry of variational methods: dynamics of closed quantum systems

Lucas Hackl, Tommaso Guaita, Tao Shi, Jutho Haegeman, Eugene Demler, J. Ignacio Cirac

Published Oct 8, 2020• 110 citations
arXivHTMLPDF

Abstract

We present a systematic geometric framework to study closed quantum systems based on suitably chosen variational families. For the purpose of (A) real time evolution, (B) excitation spectra, (C) spectral functions and (D) imaginary time evolution, we show how the geometric approach highlights the necessity to distinguish between two classes of manifolds: Kähler and non-Kähler. Traditional variational methods typically require the variational family to be a Kähler manifold, where multiplication by the imaginary unit preserves the tangent spaces. This covers the vast majority of cases studied in the literature. However, recently proposed classes of generalized Gaussian states make it necessary to also include the non-Kähler case, which has already been encountered occasionally. We illustrate our approach in detail with a range of concrete examples where the geometric structures of the considered manifolds are particularly relevant. These go from Gaussian states and group theoretic coherent states to generalized Gaussian states.

DOI
10.21468/scipostphys.9.4.048

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We present a systematic geometric framework to study closed quantum systems based on suitably chosen variational families. For the purpose of (A) real time evolution, (B) excitation spectra, (C) spectral functions and (D) imaginary time evolution, we show how the geometric approach highlights the necessity to distinguish between two classes of manifolds: Kähler and non-Kähler. Traditional variational methods typically require the variational family to be a Kähler manifold, where multiplication by the imaginary unit preserves the tangent spaces. This covers the vast majority of cases studied in the literature. However, recently proposed classes of generalized Gaussian states make it necessary to also include the non-Kähler case, which has already been encountered occasionally. We illustrate our approach in detail with a range of concrete examples where the geometric structures of the considered manifolds are particularly relevant. These go from Gaussian states and group theoretic coherent states to generalized Gaussian states.
We develop in full detail the formalism of tangent states to the manifold of matrix product states, and show how they naturally appear in studying time evolution, excitations, and spectral functions. We focus on the case of systems with translation invariance in the thermodynamic limit, where momentum is a well-defined quantum number. We present some illustrative results and discuss analogous constructions for other variational classes. We also discuss generalizations and extensions beyond the tangent space, and give a general outlook towards post-matrix product methods.
This paper establishes the foundational differential-geometric architecture for the coordinate-independent tracking of pure quantum states within closed physical systems, validated via explicit computational modeling of a driven two-level system. While standard quantum mechanics relies on the linear algebraic structure of complex Hilbert spaces, the unique identification of physical states requires factoring out non-zero complex scaling factors, positioning the true arena of quantum dynamics as the projective Hilbert space P(H). We analyze this space as a compact complex manifold possessing an intrinsic Kähler structure that fuses a Riemannian metric tensor, a symplectic form, and a complex structure into a unified geometric framework. Through this manifold lens, we systematically derive the Fubini–Study metric tensor gF S and its corresponding connection geometries. By evaluating the evolution of state vectors under a time-dependent driving Hamiltonian, we show that the natural propagation of a closed quantum system traces out a geodesic path on the projective manifold. This geometric tracking defines a localized vector gauge field—the Berry connection 1-form—which gives rise to an antisymmetric curvature tensor that modifies the effective classical mechanics of the parameter space. Furthermore, we state and prove three core theorems establishing the geometric constraints of pure state transport: the Holonomy Theorem for cyclic evolutions, the Quantum Cramér–Rao Bound, and the Mandelstam–Tamm Quantum Speed Limit. To bridge theory with physical architectures, we implement an analytical, parameter-shift algorithmic pipeline to extract these metrics natively. Numerical grid analysis confirms the exact structural scaling relation gQF IM = 4 · gF S down to machine precision (1.24 × 10−15). Finally, by tracking the metric volume form det(gij ) alongside the inverse metric components, we visually map out and isolate the topological caustic singularities (θ → 0, π) where the embedding map drops rank. This computational diagnostic provides a robust framework to identify and structurally bypass non-immersive control bottlenecks during the initial Hamiltonian design phase.
We extend Nielsen's geometric approach for quantum complexity from closed to open quantum systems, whose dynamics is governed by Lindbladian evolution. In this framework, complexity is defined through an optimal-control problem on the space of mixed states, with a cost assigned to both unitary and non-unitary generators. We show that the resulting geometric structure differs fundamentally from the Riemannian geometry that emerges in the case of unitary evolution. In the open-system setting, the natural geometry is typically sub-Finslerian. Dissipation makes the geodesics non-reversible, while the admissible tangent directions are restricted by the physically allowed controls. We analyze several physically motivated examples, including a single qubit subject to depolarizing and amplitude-damping channels, as well as the damped harmonic oscillator. We show that, similarly to the unitary case, varying the penalty factors in the cost functional modifies the geometric properties through changes in the flag curvature, the Finslerian analog of sectional curvature. Our results provide a geometric framework for quantifying the abstract notion of complexity in dissipative quantum systems, with potential connections to experimentally realizable setups.
This chapter begins with a few remarks indicating briefly the motivation for studying quantum theory from a geometrical point of view, and in particular for the development of a non-linear geometrical quantum theory. It considers the case of an elementary quantum mechanical system consisting of a spin one-half particle in a constant magnetic field. The successes of quantum mechanics have been so wide and varied, that one must be wary of making any gross alteration to the structure of the theory. The connection with twistor theory goes perhaps one level deeper, since the particular geometrical characteristics of quantum theory that emerge as being relevant have to do precisely with the complex analytic structure of the quantum mechanical state manifold. A Kahler manifold can either be regarded as a real Riemannian manifold that is endowed also with a complex structure, or as a complex manifold that is also endowed with a Riemannian structure.
The symmetry properties of quantum variational principles are considered. Euler-Poincaré reduction theory is applied to the Dirac-Frenkel variational principle for Schrödinger's dynamics producing new variational principles for the different pictures of quantum mechanics (Schrödinger's, Heisenberg's and Dirac's) as well as for the Wigner-Moyal formulation. In addition, new variational principles for mixed states dynamics have been formulated. The already known geometric characterization of quantum mechanics on the complex projective space is shown to emerge naturally from the Euler-Poincaré variational principle. Semidirect-product structures are seen to produce new variational principles for Dirac's picture. \n \nOn the other hand, the variational and Hamiltonian approach to Ehrenfest expectation values dynamics is proposed. In the Lagrangian framework, the quantum variational principle for Schrödinger's dynamics is extended to account for both classical and quantum degrees of freedom. First, it is shown that the mean field model of any quantum mechanical system can be derived from a classical-quantum Euler-Poincaré Lagrangian on the direct sum Lie algebra of the Heisenberg and unitary groups. Then, the semidirect-product structure (named Ehrenfest group), is constructed using the displacement operator from the theory of coherent quantum states ( the unitary action of the Heisenberg group on the space of wavefunctions). New classical-quantum equations for Ehrenfest's expectation values dynamics are derived redefining the mean-field model Euler-Poincaré Lagrangian on the Lie algebra of the Ehrenfest group. In the Hamiltonian framework, first expectation values of the canonical observables are shown to be equivariant momentum maps for the unitary action of the Heisenberg group on quantum states. Then, the Hamiltonian structure for Ehrenfest's dynamics is shown to be Lie-Poisson for the Ehrenfest group. The variational formulation is then given a corresponding Hamiltonian structure. The classical-quantum Ehrenfest dynamics equations produce classical and quantum dynamics as special limit cases. \n \nIn the particular case of Gaussian states, expectation values couple to second order moments, so that GS are completely characterized by first and second moments. When the total energy is computed with respect to a Gaussian state, higher moments can be expressed in terms of the first two, so that the moment hierarchy closes for Gaussian states. Second moments are shown to be equivariant momentum maps for the action of the symplectic group on the space of Wigner functions. Eventually, Gaussian states are shown to possess a Lie-Poisson structure on the Jacobi group. This structure produces an energy-conserving variant of a class of Gaussian moment models that have appeared in the chemical physics literature.