Related papers: An efficient and accurate decomposition of the Fer…
We derive a novel computational scheme for functional Renormalization Group (fRG) calculations for interacting fermions on 2D lattices. The scheme is based on the exchange parametrization fRG for the two-fermion interaction, with additional…
We present an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT), in which a system is divided into subsystems whose…
We present an Augmented Lagrangian formulation and its real-space implementation for non-periodic orbital-free Density Functional Theory (OF-DFT) calculations. In particular, we rewrite the constrained minimization problem of OF-DFT as a…
A method for the calculation of translationally invariant wave functions for systems of identical fermions with arbitrary potential of pair interaction is developed. It is based on the well-known result that the essential dynamic part of…
In this work we present a method for generating a fermionic encoding tailored to a set of target fermionic operators and to a target hardware connectivity. Our method uses brute force search, over the space of all encodings which map from…
For a generic value of the central charge, we prove the holomorphic factorization of partition functions for free superconformal fields which are defined on a compact Riemann surface without boundary. The partition functions are viewed as…
We consider a spin-$\frac{1}{2}$ chain with competing nearest and next-nearest neighbor interactions within a transverse magnetic field, which is known to be an equiavelent to the ANNNI model. When studing thermodynamics of the 2D ANNNI…
We derive an integral-free thermodynamic perturbation series expansion for quantum partition functions which enables an analytical term-by-term calculation of the series. The expansion is carried out around the partition function of the…
We address in this work the question of the discretization of two-dimensional periodic Dirac Hamiltonians. Standard finite differences methods on rectangular grids are plagued with the so-called Fermion doubling problem, which creates…
Diffusion Monte Carlo (DMC) calculations typically yield highly accurate results in solid-state and quantum-chemical calculations. However, operators that do not commute with the Hamiltonian are at best sampled correctly up to second order…
We introduce regular series expansion for weakly- and moderately-correlated fermionic systems, based on Fluctuating Local Field approach. The method relies on the explicit account of leading fluctuating mode(s) and is therefore suitable for…
A rational expansion of the Fermi density operator is proposed. This approach allows to calculate efficiently physical properties of fermionic systems at finite temperatures without solving an eigenvalue problem. Using N evaluations of the…
A partial fraction decomposition of the Fermi function resulting in a finite sum over simple poles is proposed. This allows for efficient calculations involving the Fermi function in various contexts of electronic structure or electron…
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…
We study the unitary Fermi gas in a harmonic trapping potential starting from a microscopic theory in the limit of large charge and large number of fermion flavors N. In this regime, we present an algorithmic procedure for extracting data…
Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search…
Hamiltonian Truncation Methods are a useful numerical tool to study strongly coupled QFTs. In this work we present a new method to compute the exact corrections, at any order, in the Hamiltonian Truncation approach presented by Rychkov et…
Let $f$ be a real polynomial of $x = (x_1,\dots,x_n)$ and $\varphi$ be a locally integrable function of $x$ which satisfies a holonomic system of linear differential equations. We study the distribution $f_+^\lambda\varphi$ with a…
Fermion sampling is to generate probability distribution of a many-body Slater-determinant wavefunction, which is termed "determinantal point process" in statistical analysis. For its inherently-embedded Pauli exclusion principle, its…
Utilizing the sparsity of the electronic structure problem, fragmentation methods have been researched for decades with great success, pushing the limits of ab initio quantum chemistry ever further. Recently, this set of methods was…