Related papers: An efficient and accurate decomposition of the Fer…
Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…
We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional molecular conductor $\alpha$-(BETS)$_2$I$_3$ [= $\alpha$-(BEDT-TSeF)$_2$I$_3$] at a low temperature of 30K.…
The Fermi function $F(Z,E)$ accounts for QED corrections to beta decays that are enhanced at either small electron velocity $\beta$ or large nuclear charge $Z$. For precision applications, the Fermi function must be combined with other…
We present an overview of the existing methods for computing functional determinants, and outline a possible way forward for Hamiltonians of higher dimensions without radial symmetry.
We present an accurate and efficient real-space formulation of the Hellmann-Feynman stress tensor for $\mathcal{O}(N)$ Kohn-Sham density functional theory (DFT). While applicable at any temperature, the formulation is most efficient at high…
Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize…
Deep learning electronic structures from ab initio calculations holds great potential to revolutionize computational materials studies. While existing methods proved success in deep-learning density functional theory (DFT) Hamiltonian…
The Generalized Fermi Breakup recently demonstrated to be formally equivalent to the Statistical Multifragmentation Model, if the contribution of excited states are included in the state densities of the former, is implemented. Since this…
In this work we describe an efficient implementation of a hierarchy of algorithms for the decomposition of dense matrices over the field with two elements (GF(2)). Matrix decomposition is an essential building block for solving dense…
The conformal field theory (CFT) approach to Kondo problems, originally developed by Affleck and Ludwig (AL), has greatly advanced the fundamental knowledge of Kondo physics. The CFT approach to Kondo impurities is based on a necessary…
We study the algebraic structure of the eigenvalues of a Hamiltonian that corresponds to a many-body fermionic system. As the Hamiltonian is quadratic in fermion creation and/or annihilation operators, the system is exactly integrable and…
We introduce an efficient stable algorithm for transforms associated with expansions in Hermite functions interpolated at Hermite polynomial roots. The Hermite transform matrix can be factorised into a diagonal component and an orthogonal…
We present an exact computation of effective Hamiltonians for an elementary model obtained from the Yukawa theory by going to the limit of bare fermions being infinitely heavy and bare bosons being at rest with respect to the fermions that…
The chiral phase dependence of fermion partition function in spherically symmetric U(1) gauge field background is analyzed in two dimensional space-time. A well-defined method to calculated the path integral which apply to the continuous…
We review some aspects of the fermionic interpretation of the two-dimensional Ising model. The use is made of the notion of the integral over the anticommuting Grassmann variables. For simple and more complicated 2D Ising lattices, the…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
Some algorithms for the numerically exact treatment of fermion determinants are summarised. This is not supposed to be a review, rather a concise handbook. The audience is expected to have a basic understanding of how to put fermions on a…
We present a general formalism that allows for the computation of large-order renormalized expansions in the spacetime representation, effectively doubling the numerically attainable perturbation order of renormalized Feynman diagrams. We…
Efficient simulation of quantum dynamics with time-dependent Hamiltonians is important not only for time-varying systems but also for time-independent Hamiltonians in the interaction picture. Such simulations are more challenging than their…
The eigenvalue of a Hamiltonian, $\mathcal{H}$, can be estimated through the phase estimation algorithm given the matrix exponential of the Hamiltonian, $exp(-i\mathcal{H})$. The difficulty of this exponentiation impedes the applications of…