arXiv subjects

Mancheon Han

Publications and source records attributed to Mancheon Han.

7 recordsLinked to original sources

arXiv2026

QAssemble: A Pure Python Package for Quantum Many-Body Theory

QAssemble is a pure-Python package for the quantum many-body problem. It implements various functional approaches, such as tight-binding, Hartree-Fock, and GW approximations within a unified object-oriented architecture. Each physical concept--crystal structure, Hamiltonian, Green's function, self-energy, polarizability, screened Coulomb interaction--is represented as a distinct class. The modular design prioritizes code clarity and extensibility, leveraging NumPy, SciPy, and libdlr for numerical operations. Performance-critical kernels, including the polarizability bubble, Dyson equation inversion, and lattice Fourier transforms, are systematically vectorized and combined with the discrete Lehmann representation to achieve practical efficiency within a pure-Python environment. We validate QAssemble on the electronic structure of graphene with local and non-local interactions. Furthermore, benchmarks on a five-orbital extended Hund-Hubbard model demonstrate that this strategy delivers up to a 60x speedup over traditional loop-based Matsubara implementations. QAssemble supports both batch execution for production calculations and interactive workflows for method development.

cond-mat.str-el↗

arXiv2025

The Constant Geometric Speed Schedule for Adiabatic State Preparation

The efficiency of adiabatic quantum evolution is governed by the evolution time $T$, which typically scales as $\mathcal{O}(\Delta^{-2})$ with the minimum energy gap $\Delta$. However, the rigorous lower bound is $\mathcal{O}(L\Delta^{-1})$, where $L$ is the adiabatic path length. Although $L$ is formally upper-bounded by $\mathcal{O}(\Delta^{-1})$, such a bound is often too loose in practice, and $L$ can be bounded independently of $\Delta$. This indicates the potential for a quadratic speedup through adiabatic schedule construction. Here, we introduce the constant geometric speed (CGS) schedule, which traverses the adiabatic path at a uniform rate. We show that this approach reduces the scaling of the evolution time by a factor of $\Delta^{-1}$, provided $L$ remains bounded independently of $\Delta$. We propose a segmented CGS protocol where path segment lengths are computed from eigenstate overlaps on the fly, reducing the prior spectral-knowledge requirement from the full gap function $\Delta(s)$ to just a global lower bound on the energy gap. Numerical tests on adiabatic unstructured search, N$_2$, and a [2Fe-2S] cluster demonstrate the optimal $\Delta^{-1}$ scaling, confirming a quadratic speedup over the standard linear schedule.

quant-ph↗

arXiv2025

Fermionic-Adapted Shadow Tomography for dynamical correlation functions

Dynamical correlation functions are essential for characterizing the response of the quantum many-body systems to the external perturbation. As their calculation is classically intractible in general, quantum algorithms are promising in this aspect, but most rely on brute force measurement strategies that evaluate one body observable pair per circuit. In this work, we introduce Fermionic-Adapted Shadow Tomography (FAST) protocols, a new framework for the efficient calculation of multiple dynamical correlation functions. The key idea is to reformulate these functions into forms that are compatible with shadow tomography techniques. The circuits in our protocols require at most two-copy measurements with uncontrolled Hamiltonian simulation. We show that the proposed protocols enhance sample efficiency and/or reduce the number of measurement circuits by an order of one or two with respect to the number of qubits across a range of scenarios.

quant-ph↗

arXiv2024

Quantum Zeno Monte Carlo for computing observables

The recent development of logical quantum processors marks a pivotal transition from the noisy intermediate-scale quantum (NISQ) era to the fault-tolerant quantum computing (FTQC) era. These devices have the potential to address classically challenging problems with polynomial computational time using quantum properties. However, they remain susceptible to noise, necessitating noise resilient algorithms. We introduce Quantum Zeno Monte Carlo (QZMC), a classical-quantum hybrid algorithm that demonstrates resilience to device noise and Trotter errors while showing polynomial computational cost for a gapped system. QZMC computes static and dynamic properties without requiring initial state overlap or variational parameters, offering reduced quantum circuit depth.

quant-ph↗

arXiv2023

ComDMFT v.2.0: Fully Self-Consistent ab initio GW+EDMFT for the Electronic Structure of Correlated Quantum Materials

ComDMFT is a parallel computational package designed to study the electronic structure of correlated quantum materials from first principles. Our approach is based on the combination of first-principles methods and dynamical mean field theories. In version 2.0, we implemented fully-diagrammatic GW+EDMFT from first-principles. In this approach, correlated electrons are treated within full GW+EDMFT and the rest are treated within full-GW, seamlessly. This implementation enables the electronic structure calculation of quantum materials with weak, intermediate, and strong electron correlation without prior knowledge of the degree of electron correlation.

cond-mat.str-el↗

arXiv2022

Parameter-free analytic continuation for quantum many-body calculations

We develop a reliable parameter-free analytic continuation method for quantum many-body calculations. Our method is based on a kernel grid, a causal spline, a regularization using the second-derivative roughness penalty, and the L-curve criterion. We also develop the L-curve averaged deviation to estimate the precision of our analytic continuation. To deal with statistically obtained data more efficiently, we further develop a bootstrap-averaged analytic continuation method. In the test using the exact imaginary-frequency Green's function with added statistical error, our method produces the spectral function that converges systematically to the exact one as the statistical error decreases. As an application, we simulate the two-orbital Hubbard model for various electron numbers with the dynamical-mean field theory in the imaginary time and obtain the real-frequency self-energy with our analytic continuation method, clearly identifying a non-Fermi liquid behavior as the electron number approaches the half filling from the quarter filling. Our analytic continuation can be used widely and it will facilitate drawing clear conclusions from imaginary-time quantum many-body calculations.

cond-mat.str-el↗

arXiv2021

Causal optimization method for imaginary-time Green's functions in interacting electron systems

We develop a causal optimization method that ensures causality in numerical calculations of Green's functions in interacting electron systems. Our method removes noncausality of numerical data by finding causal functions closest to the data. By testing our method with an exactly calculable model and applying it to practical dynamical mean-field calculations, we find that intermediate-frequency behaviors of Green's functions are determined solely by causality, and noncausal statistical errors are removed very efficiently. Furthermore, we demonstrate that numerical calculations of the physical branch of the Luttinger-Ward functional can be stabilized by ensuring causality of the noninteracting Green's function. Our method and findings provide a basis for improving stability and efficiency of numerical simulations of quantum many-body systems.

cond-mat.str-el↗