Thesis

On the efficient computation of multidimensional singular sums

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Abstract

This thesis is concerned with the development of the singular Euler–Maclaurin expansion, a novel method that allows for the efficient evaluation of large sums over values of functions with singularities. The method offers an approximation to the sum whose runtime is independent of the number of summands and whose error falls of exponentially with the expansion order. Hereby, a powerful numerical tool is provided whose applications range from fast multidimensional summation methods in numerical analysis over the analysis of long-range interactions in condensed matter systems to the evaluation of partition functions in quantum physics. The numerical performance of the new method is demonstrated by precisely computing the forces in a topological defect in a one-dimensional chain of long-range interacting particles. Furthermore, prototypical sums in an infinite two-dimensional lattice are efficiently evaluated. In the derivation of the multidimensional expansion, a deep connection between our new method to analytical number theory is revealed. This connection provides tools for the efficient computation of the operator coefficients that appear in the expansion. On the other hand, the expansion yields new globally convergent representations of the Riemann zeta function and its generalisation to higher dimensions.

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... We show that the discrete lattice problem can be separated into a term that describes its continuous analog, the continuum contribution, and a term that includes all information about the microstructure, the lattice contribution, hence demonstrating equivalence between lattice and continuum. To this end, we apply the recently developed singular Euler-Maclaurin (SEM) expansion [13][14][15], which generalizes the 300-year old Euler-Maclaurin summation formula, and extend it to nonlinear and multiatomic systems. The singular lattice sum is expressed in terms of an integral and a lattice contribution described by a differential operator, both of which are efficiently computable. ...
... The representation of the lattice contribution in Eq. (4) is called the SEM expansion, a full derivation of which is provided in Refs. [13][14][15]. For = R d the SEM operator D ( ) takes the particularly simple form ...
... The Hadamard finite-part integral is the natural extension of the standard integral to functions that exhibit nonintegrable power-law singularities (see the original publication of Hadamard [135] or Ref. [26]). Here, we follow the notation of Ref. [15]. For ...
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Continuum limits are a powerful tool in the study of many-body systems, yet their validity is often unclear when long-range interactions are present. In this paper, we rigorously address this issue and put forth an exact representation of long-range interacting lattices that separates the model into a term describing its continuous analog, the integral contribution, and a term that fully resolves the microstructure, the lattice contribution. For any system dimension, for any lattice, for any power-law interaction, and for linear, nonlinear, and multiatomic lattices, we show that the lattice contribution can be described by a differential operator based on the multidimensional generalization of the Riemann zeta function, namely, the Epstein zeta function. We employ our representation in Fourier space to solve the important problem of long-range interacting unconventional superconductors. We derive a generalized Bardeen-Cooper-Schrieffer gap equation and find emerging exotic phases in two-dimensional superconductors with topological phase transitions. Finally, we utilize nonequilibrium Higgs spectroscopy to analyze the impact of long-range interactions on the collective excitations of the condensate. We show that the interactions can be used to fine tune the Higgs mode's stability, ranging from exponential decay of the oscillation amplitude up to complete stabilization. By providing a unifying framework for long-range interactions on a lattice, both classical and quantum, our research can guide the search for exotic phases of matter across different fields.
... We show that the discrete lattice problem can be separated into a term that describes its continuous analog, the continuum contribution, and a term that includes all information about the microstructure, the lattice contribution, hence demonstrating equivalence between lattice and continuum. To this end, we apply the recently developed Singular Euler-Maclaurin (SEM) expansion [13][14][15], which generalizes the 300-year old Euler-Maclaurin summation formula, and extend it to nonlinear and multiatomic systems. The singular lattice sum is expressed in terms of an integral and a lattice contribution described by a differential operator, both of which are efficiently computable. ...
... with D a differential operator of infinite order, D ( ) its truncation up to order 2 + 1, and ∆ the Laplacian. The representation of the lattice contribution in Eq. (4) is called the Singular Euler-Maclaurin (SEM) expansion, a full derivation of which is provided in [13][14][15]. For Ω = R d the SEM operator D ( ) takes the particularly simple form ...
... The Hadamard finite-part integral is the natural extension of the standard integral to functions that exhibit non-integrable power-law singularities, see the original publication of Hadamard [134] or Ref. [20]. Here, we follow the notation of Ref. [15]. For ...
Preprint
Full-text available
Continuum limits are a powerful tool in the study of many-body systems, yet their validity is often unclear when long-range interactions are present. In this work, we rigorously address this issue and put forth an exact representation of long-range interacting lattices that separates the model into a term describing its continuous analog, the integral contribution, and a term that fully resolves the microstructure, the lattice contribution. For any system dimension, any lattice, any power-law interaction, and for linear, nonlinear, and multi-atomic lattices, we show that the lattice contribution can be described by a differential operator based on the multidimensional generalization of the Riemann zeta function, namely the Epstein zeta function. We employ our representation in Fourier space to solve the important problem of long-range interacting unconventional superconductors. We derive a generalized Bardeen-Cooper-Schrieffer gap equation and find emerging exotic phases in two-dimensional superconductors with topological phase transitions. Finally, we utilize non-equilibrium Higgs spectroscopy to analyze the impact of long-range interactions on the collective excitations of the condensate. We show that the interactions can be used to fine-tune the Higgs mode's stability, ranging from exponential decay of the oscillation amplitude up to complete stabilization.
... We show that the discrete lattice problem can be separated into a term that describes its continuous analogue, the continuum contribution, and a term that includes all information about the microstructure, the lattice contribution, hence demonstrating an equivalence between lattice and continuum. To this end, we apply the recently developed Singular Euler-Maclaurin (SEM) expansion [13][14][15], which generalizes the 300-year old Euler-Maclaurin summation formula, and extend it to nonlinear and multiatomic systems. The singular lattice sum is expressed in terms of an integral and a lattice contribution described by a differential operator, both of which are efficiently computable. ...
... with D a differential operator of infinite order, D ( ) its truncation up to order 2 + 1, and ∆ the Laplacian. The representation of the lattice contribution in Eq. (4) is called the Singular Euler-Maclaurin (SEM) expansion, a full derivation of which is provided in [13][14][15]. For Ω = R d the SEM operator D ( ) takes the particularly simple form ...
... The Hadamard finite-part integral is the natural extension of the standard integral to functions that exhibit non-integrable power-law singularities, see the original publication of Hadamard [94] or Ref. [28]. Here, we follow the notation of Ref. [15]. For f x (y) = g(y) |y − x| ν , with g sufficiently differentiable, the Hadamard integral of f x over a domain Ω is defined by subtracting the Taylor series of g up to order Ω\Bε(x) f x (y) dy − H ν,ε g (x) , with the differential operator H ν,ε = kmax k=0 1 k! R d \Bε y, ∇ k |y| ν dy, ν ∈ C \ (N + d). ...
Preprint
Full-text available
Continuum limits are a powerful tool in the study of many-body systems, yet their validity is often unclear when long-range interactions are present. In this work, we rigorously address this issue and put forth an exact representation of long-range interacting lattices that separates the model into a term describing its continuous analogue, the integral contribution, and a term that fully resolves the microstructure, the lattice contribution. For any system dimension, any lattice, any power-law interaction and for linear, nonlinear, and multi-atomic lattices, we show that the lattice contribution can be described by a differential operator based on the multidimensional generalization of the Riemann zeta function, namely the Epstein zeta function. We determine the conditions under which this contribution becomes particularly relevant, demonstrating the existence of quasi scale-invariant lattice contributions in a wide range of fundamental physical phenomena. Our representation provides a broad set of tools for studying the analytical properties of the system and it yields an efficient numerical method for the evaluation of the arising lattice sums. We benchmark its performance by computing classical forces and energies in three important physical examples, in which the standard continuum approximation fails: Skyrmions in a two-dimensional long-range interacting spin lattice, defects in ion chains, and spin waves in a three-dimensional pyrochlore lattice with dipolar interactions. We demonstrate that our method exhibits the accuracy of exact summation at the numerical cost of an integral approximation, allowing for precise simulations of long-range interacting systems even at macroscopic scales. Finally, we apply our analytical tool set to the study of quantum spin lattices and derive anomalous quantum spin wave dispersion relations due to long-range interactions in arbitrary dimensions.
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