Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

The Journal of Chemical Physics

On the equivalence between different averaging schemes in magnetic resonance

Shreyan Ganguly, Rajat Garg, Ramesh Ramachandran

Published Sep 1, 2020• 11 citations
Publisher

Abstract

Evolution of quantum mechanical systems under time-dependent Hamiltonians has remained a challenging problem of interest across all disciplines. Through suitable approximations, different averaging methods have emerged in the past for modeling the time-evolution under time-dependent Hamiltonians. To this end, the development of analytic methods in the form of time-averaged effective Hamiltonians has gained prominence over other methods. In particular, the advancement of spectroscopic methods for probing molecular structures has benefited enormously from such theoretical pursuits. Nonetheless, the validity of the approximations and the exactness of the proposed effective Hamiltonians have always remained a contentious issue. Here, in this report, we reexamine the equivalence between the effective Hamiltonians derived from the Magnus formula and Floquet theory through suitable examples in magnetic resonance.

DOI
10.1063/5.0018753

Related papers

Floquet Theory and Average Hamiltonian Theory Revisited: Equivalence, Convergence and Applications to NMR

Antonia J. Bock, Matthias Ernst, Götz S. Uhrig

An accurate theoretical treatment of periodically driven quantum systems is crucial for various fields in the exact sciences, for instance Nuclear Magnetic Resonance (NMR) spectroscopy. Conventionally, either average Hamiltonian theory or Floquet theory is used to predict or describe experimental outcomes, such as the time evolution or the spectra yielding the information of the sample under study. A detailed analysis of the equivalence of these two approaches with an emphasis on applications in NMR will help to improve the theoretical understanding of NMR experiments. In this work, we identify the Floquet-Magnus expansion as essential to prove the mathematical equivalence of Floquet theory and average Hamiltonian theory. We advocate a calculation scheme which is less prone to algebraic mistakes because explicit integration is avoided. On this basis, we provide the first four orders of both theories. We further examine their applicability to some experiments in NMR. As examples, we investigate the Bloch-Siegert shift and dipolar coupled spin systems under magic-angle spinning. Based on our analysis, we recommend the use of the Floquet-Van Vleck approach including both the effective Hamiltonian and the kick operator. The consistent separation of secular and non-secular contributions appears to be especially advantageous for numerical robustness. Its accuracy is about three times better than the one provided by average Hamiltonian theory despite their formal equivalence. Our findings provide important insights into the theoretical background of Floquet theory and average Hamiltonian theory. This includes the extent of their algebraic and perturbative equivalence, with an emphasis on how these findings are of relevance in the analysis of solid-state NMR experiments.

quant-pharXiv:2609.17121•Sep 16, 2026•0 citations

The Floquet-Magnus expansion of unbounded operators

Daniel Burgarth, Robin Hillier, Davide Lonigro +1 more

The Floquet-Magnus expansion is a widely used tool to derive effective descriptions of time-periodic quantum systems by approximating their dynamics with a time-independent Hamiltonian. However, its standard formulation is, strictly speaking, restricted to bounded Hamiltonians. In this work, we extend its definition and analysis to a broad class of time-periodic unbounded Hamiltonians. Our approach is based on an a priori distinct nonperturbative framework for the construction of effective Hamiltonians, which we show to reproduce the Floquet-Magnus expansion. A particular strength of our framework is that it allows us to prove that the resulting effective dynamics approximates the original time evolution propagators to arbitrary order in the high-frequency limit without requiring convergence of the Floquet-Magnus expansion, a condition that is already highly restrictive even in the bounded setting. We illustrate the scope of the method on representative models: the quantum Rabi Hamiltonian in the interaction picture, and the periodically driven quantum harmonic oscillator.

math-phCross-listedarXiv:2605.23734•May 25, 2026

An operational perspective on the Magnus–Fer conundrum in time-dependent quantum mechanics

Kuntal Mukherjee, Shreyan Ganguly, Ramesh Ramachandran

The development of analytic methods for studying quantum systems driven by periodic Hamiltonians has remained an active pursuit for gaining insights into physical phenomena in spectroscopy and other related areas in chemical physics. From a theoretical perspective, the success of a given analytic method relies on the operational aspects as well as its exactness in replicating (known) experimental results. While analytic methods built around the Magnus expansion (ME) scheme have been preferred in time-evolution studies, the splitting of the time-propagator into a product of exponential operators in the Fer expansion (FE) scheme has gained wider attention in recent years. To this end, the operational advantages of one scheme over the other have always remained contentious and form the basis for the present report. Employing periodic Hamiltonians as examples, the operational aspects and the relative merits/demerits of the two methods are analyzed, and their long-term/short-term behavior is discussed through analytic expressions in experimentally verifiable systems.

The Journal of Chemical Physics•Apr 2, 2025•0 citations

Revisiting the applications of Floquet–Magnus and Fer expansion approaches in physics and solid-state NMR

Eugene Stephane Mananga, Thibault Charpentier

In this paper, we revisit, from different perspectives, the applications of Floquet–Magnus expansion (FME) and Fer expansion (FE) in NMR and physics. We use these expansion schemes for the calculation of effective Hamiltonians and propagators. We found that the FME is related to the FE. While both approaches are powerful methods, there are subtle differences between them. To understand the differences, we performed explicit calculation on various problems, namely, Bloch–Siegert shift, Cross Polarization (CP) and Continuous Waves (CW). We put the work in a prospect that is related to spin physics in order to make the calculation more general. As the propagator from the FME takes the form of the evolution operator, which removes the constraint of a stroboscopic observation, we appreciated the effects of time-evolution under Hamiltonians with different orders separately.

International Journal of Modern Physics B•Jul 24, 2018•5 citations

Time-dependent properties of solids : non-perturbative Floquet Hamiltonians and beyond

Michael Rudolf Vogl

In the different chapters of this dissertation we investigate multiple non-perturbative approaches that allow the study of solids subjected to time dependent fields. In the second chapter, we develop a very general non-perturbative and flexible approach that allows to study periodically driven quantum systems via an effective time-independent theory. It makes use of renormalization-group-like flow equations to find highly accurate effective Hamiltonians[Phys. Rev. X 9, 021037 (2019)]. The range of validity of the approach is checked numerically for various 1D spin systems and confirmed to be beyond the reaches of ordinary perturbative methods. It also compares favourably to another non-perturbative approach. In the third chapter we examine the wealth of different approximations to the time evolution operator that are known from the literature. Inspired by Hamilton-Jacobi theory we find a useful reformulation of the equation for the time evolution operator [Phys. Rev. A 100, 012132 (2019)]. This allows us to find the various known approximations of the time evolution operator in a unified fashion and new ones. Interestingly the RG-like flow equations from the second chapter are found to be one specific limit of the more general approach developed here. A periodically driven Ising model is used to verify the range of validity of the different approximations. This allows us to put them into a hierarchy. Up until here the methods that were explored are most valid in the high to mid frequency regime. In the fourth chapter we show how for the case of a weakly driven system a simple approach can be used to treat the low frequency regime [Phys. Rev. B 101, 024303 (2020)]. To achieve this we derive a quasi-energy dependent Hamiltonians and very crucially require self-consistency for the quasi-energies. For the simple two band example of single layer graphene it is found to be highly accurate approach that also allows for accurate descriptions of even sensitive quantities like Chern numbers For the last fifth chapter of the thesis we switch gears and consider a specific system of much recent interest - twisted bilayer graphene. We investigate how light that is altered by the boundary conditions of a metallic waveguide can change the strength of interlayer couplings [arXiv:2001.04416 (2020)]. We investigate how this change affects the twist angles at which flat bands appear and find very simple analytic results that are in good agreement with a numerical treatment. In the sixth chapter of the thesis, we investigate the effects circularly polarized light has on twisted bilayer graphene[ arXiv:2002.05124 (2020)]. We derive two effective Hamiltonians valid in different driving regimes. One is valid for weak drives but low frequencies and the other for relatively strong drives. The Hamiltonian for the strongly driven regime is compared to exact numeric results and found to perform better than other common methods. We analyse the newly generated terms in both Hamiltonians for their symmetry.

•May 1, 2020•0 citations

A Variational Framework for Time-Dependent Quantum Systems with Applications to Floquet Hamiltonians

Ibsal Assi, Meenu Kumari, J. P. F. LeBlanc

We introduce a variational framework for approximating the time-evolution operator $\hat{U}(t)$ within a physically motivated operator manifold, reformulating quantum dynamics as a tractable problem in operator space using stationary action principle. For periodically driven systems, the resulting approximate evolution operator directly yields an effective Floquet Hamiltonian, offering a non-perturbative alternative to conventional expansion-based methods. The framework is systematically improvable by enlarging the operator pool and naturally incorporates symmetries and physical constraints. When the operator manifold is chosen from the terms of a truncated Magnus expansion, the variational procedure effectively resums the Magnus series within the restricted space, significantly enhancing accuracy. We benchmark the approach on the driven Rabi model, the driven Lipkin-Meshkov-Glick model, and the one-dimensional driven Ising chain, yielding effective Floquet Hamiltonians that are systematically more accurate than low-order Magnus expansions, particularly in regimes where the latter converge poorly, and illustrating applicability to systems with exponentially large Hilbert spaces. Although we focus here on Floquet systems, the formalism applies equally to generic time-dependent Hamiltonians, providing a versatile tool for non-equilibrium quantum dynamics.

quant-pharXiv:2607.29418•Aug 3, 2026•0 citations
Evolution of quantum mechanical systems under time-dependent Hamiltonians has remained a challenging problem of interest across all disciplines. Through suitable approximations, different averaging methods have emerged in the past for modeling the time-evolution under time-dependent Hamiltonians. To this end, the development of analytic methods in the form of time-averaged effective Hamiltonians has gained prominence over other methods. In particular, the advancement of spectroscopic methods for probing molecular structures has benefited enormously from such theoretical pursuits. Nonetheless, the validity of the approximations and the exactness of the proposed effective Hamiltonians have always remained a contentious issue. Here, in this report, we reexamine the equivalence between the effective Hamiltonians derived from the Magnus formula and Floquet theory through suitable examples in magnetic resonance.
An accurate theoretical treatment of periodically driven quantum systems is crucial for various fields in the exact sciences, for instance Nuclear Magnetic Resonance (NMR) spectroscopy. Conventionally, either average Hamiltonian theory or Floquet theory is used to predict or describe experimental outcomes, such as the time evolution or the spectra yielding the information of the sample under study. A detailed analysis of the equivalence of these two approaches with an emphasis on applications in NMR will help to improve the theoretical understanding of NMR experiments. In this work, we identify the Floquet-Magnus expansion as essential to prove the mathematical equivalence of Floquet theory and average Hamiltonian theory. We advocate a calculation scheme which is less prone to algebraic mistakes because explicit integration is avoided. On this basis, we provide the first four orders of both theories. We further examine their applicability to some experiments in NMR. As examples, we investigate the Bloch-Siegert shift and dipolar coupled spin systems under magic-angle spinning. Based on our analysis, we recommend the use of the Floquet-Van Vleck approach including both the effective Hamiltonian and the kick operator. The consistent separation of secular and non-secular contributions appears to be especially advantageous for numerical robustness. Its accuracy is about three times better than the one provided by average Hamiltonian theory despite their formal equivalence. Our findings provide important insights into the theoretical background of Floquet theory and average Hamiltonian theory. This includes the extent of their algebraic and perturbative equivalence, with an emphasis on how these findings are of relevance in the analysis of solid-state NMR experiments.
The Floquet-Magnus expansion is a widely used tool to derive effective descriptions of time-periodic quantum systems by approximating their dynamics with a time-independent Hamiltonian. However, its standard formulation is, strictly speaking, restricted to bounded Hamiltonians. In this work, we extend its definition and analysis to a broad class of time-periodic unbounded Hamiltonians. Our approach is based on an a priori distinct nonperturbative framework for the construction of effective Hamiltonians, which we show to reproduce the Floquet-Magnus expansion. A particular strength of our framework is that it allows us to prove that the resulting effective dynamics approximates the original time evolution propagators to arbitrary order in the high-frequency limit without requiring convergence of the Floquet-Magnus expansion, a condition that is already highly restrictive even in the bounded setting. We illustrate the scope of the method on representative models: the quantum Rabi Hamiltonian in the interaction picture, and the periodically driven quantum harmonic oscillator.
The development of analytic methods for studying quantum systems driven by periodic Hamiltonians has remained an active pursuit for gaining insights into physical phenomena in spectroscopy and other related areas in chemical physics. From a theoretical perspective, the success of a given analytic method relies on the operational aspects as well as its exactness in replicating (known) experimental results. While analytic methods built around the Magnus expansion (ME) scheme have been preferred in time-evolution studies, the splitting of the time-propagator into a product of exponential operators in the Fer expansion (FE) scheme has gained wider attention in recent years. To this end, the operational advantages of one scheme over the other have always remained contentious and form the basis for the present report. Employing periodic Hamiltonians as examples, the operational aspects and the relative merits/demerits of the two methods are analyzed, and their long-term/short-term behavior is discussed through analytic expressions in experimentally verifiable systems.
In this paper, we revisit, from different perspectives, the applications of Floquet–Magnus expansion (FME) and Fer expansion (FE) in NMR and physics. We use these expansion schemes for the calculation of effective Hamiltonians and propagators. We found that the FME is related to the FE. While both approaches are powerful methods, there are subtle differences between them. To understand the differences, we performed explicit calculation on various problems, namely, Bloch–Siegert shift, Cross Polarization (CP) and Continuous Waves (CW). We put the work in a prospect that is related to spin physics in order to make the calculation more general. As the propagator from the FME takes the form of the evolution operator, which removes the constraint of a stroboscopic observation, we appreciated the effects of time-evolution under Hamiltonians with different orders separately.
In the different chapters of this dissertation we investigate multiple non-perturbative approaches that allow the study of solids subjected to time dependent fields. In the second chapter, we develop a very general non-perturbative and flexible approach that allows to study periodically driven quantum systems via an effective time-independent theory. It makes use of renormalization-group-like flow equations to find highly accurate effective Hamiltonians[Phys. Rev. X 9, 021037 (2019)]. The range of validity of the approach is checked numerically for various 1D spin systems and confirmed to be beyond the reaches of ordinary perturbative methods. It also compares favourably to another non-perturbative approach. In the third chapter we examine the wealth of different approximations to the time evolution operator that are known from the literature. Inspired by Hamilton-Jacobi theory we find a useful reformulation of the equation for the time evolution operator [Phys. Rev. A 100, 012132 (2019)]. This allows us to find the various known approximations of the time evolution operator in a unified fashion and new ones. Interestingly the RG-like flow equations from the second chapter are found to be one specific limit of the more general approach developed here. A periodically driven Ising model is used to verify the range of validity of the different approximations. This allows us to put them into a hierarchy. Up until here the methods that were explored are most valid in the high to mid frequency regime. In the fourth chapter we show how for the case of a weakly driven system a simple approach can be used to treat the low frequency regime [Phys. Rev. B 101, 024303 (2020)]. To achieve this we derive a quasi-energy dependent Hamiltonians and very crucially require self-consistency for the quasi-energies. For the simple two band example of single layer graphene it is found to be highly accurate approach that also allows for accurate descriptions of even sensitive quantities like Chern numbers For the last fifth chapter of the thesis we switch gears and consider a specific system of much recent interest - twisted bilayer graphene. We investigate how light that is altered by the boundary conditions of a metallic waveguide can change the strength of interlayer couplings [arXiv:2001.04416 (2020)]. We investigate how this change affects the twist angles at which flat bands appear and find very simple analytic results that are in good agreement with a numerical treatment. In the sixth chapter of the thesis, we investigate the effects circularly polarized light has on twisted bilayer graphene[ arXiv:2002.05124 (2020)]. We derive two effective Hamiltonians valid in different driving regimes. One is valid for weak drives but low frequencies and the other for relatively strong drives. The Hamiltonian for the strongly driven regime is compared to exact numeric results and found to perform better than other common methods. We analyse the newly generated terms in both Hamiltonians for their symmetry.
We introduce a variational framework for approximating the time-evolution operator U^(t)\hat{U}(t)U^(t) within a physically motivated operator manifold, reformulating quantum dynamics as a tractable problem in operator space using stationary action principle. For periodically driven systems, the resulting approximate evolution operator directly yields an effective Floquet Hamiltonian, offering a non-perturbative alternative to conventional expansion-based methods. The framework is systematically improvable by enlarging the operator pool and naturally incorporates symmetries and physical constraints. When the operator manifold is chosen from the terms of a truncated Magnus expansion, the variational procedure effectively resums the Magnus series within the restricted space, significantly enhancing accuracy. We benchmark the approach on the driven Rabi model, the driven Lipkin-Meshkov-Glick model, and the one-dimensional driven Ising chain, yielding effective Floquet Hamiltonians that are systematically more accurate than low-order Magnus expansions, particularly in regimes where the latter converge poorly, and illustrating applicability to systems with exponentially large Hilbert spaces. Although we focus here on Floquet systems, the formalism applies equally to generic time-dependent Hamiltonians, providing a versatile tool for non-equilibrium quantum dynamics.