Related papers: An efficient and accurate decomposition of the Fer…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
A general method to construct basis functions for fermionic systems which account for the $SU(2)$ symmetry and for the translational invariance of the Hamiltonian is presented. The method does not depend on the dimensionality of the system…
We establish the quantum mechanics of composite fermions based on the dipole picture initially proposed by Read. It comprises three complimentary components: a wave equation for determining the wave functions of a composite fermion in ideal…
The feedback particle filter (FPF), a resampling-free algorithm proposed over a decade ago, modifies the particle filter (PF) by incorporating a feedback structure. Each particle in FPF is regulated via a feedback gain function (lacking a…
In this work, we consider a rational approximation of the exponential function to design an algorithm for computing matrix exponential in the Hermitian case. Using partial fraction decomposition, we obtain a parallelizable method, where the…
We present numerically exact continuous-time Quantum Monte Carlo algorithm for fermions with a general non-local in space-time interaction. The new determinantal grand-canonical scheme is based on a stochastic series expansion for the…
In these notes we explain how the CFT description of random matrix models can be used to perform actual calculations. Our basic example is the hermitian matrix model, reformulated as a conformal invariant theory of free fermions. We give an…
We extend the dipole formalism of Catani and Seymour to QCD processes involving heavy fermions. We give the appropriate subtraction terms together with their integrated counterpart. All calculations are done within dimensional…
We implement Wilson fermions on 2D Lorentzian triangulation and determine the spectrum of the Dirac-Wilson operator. We compare it to the spectrum of the corresponding operator in the Euclidean background. We use fermionic particle to probe…
The analytical gradient for periodic systems is presented, for the case of metallic systems. The total energy and the free energy are computed on the Hartree-Fock or density functional level, with the wave function being expanded in terms…
Based on the standard many-fermion field theory, the authors construct models describing ultracold fermions in a 1D optical lattices by implementing a mode expansion of the fermionic field operator where modes, in addition to space…
Solving a Poisson equation is generally reduced to solving a linear system with a coefficient matrix $A$ of entries $a_{ij}$, $i,j=1,2,...,n$, from the discretized Poisson equation. Although the variational quantum algorithms are promising…
In contrast to the non-relativistic approaches, three-dimensional (3D) mesh calculations for the {\it relativistic} density functional theory have not been realized because of the challenges of variational collapse and fermion doubling. We…
The calculation of the density matrix for fermions and bosons in the Grand Canonical Ensemble allows an efficient way for the inclusion of fermionic and bosonic statistics at all temperatures. It is shown that in a Path Integral Formulation…
Eigendecomposition of the Laplace-Beltrami operator is instrumental for a variety of applications from physics to data science. We develop a numerical method of computation of the eigenvalues and eigenfunctions of the Laplace-Beltrami…
Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
The numerical computation of many hadronic correlation functions is exceedingly difficult due to the exponentially decreasing signal-to-noise ratio with the distance between source and sink. Multilevel integration methods, using independent…
We calculate the analytic form of the vacuum modular Hamiltonian for a two interval region and the algebra of a current $j(x)=\partial \phi(x)$ corresponding to a chiral free scalar $\phi$ in $d=2$. We also compute explicitly the mutual…
In this paper, we show that a system of localized particles, satisfying the Fermi statistics and subject to finite-range interactions, can be exactly solved in any dimension. In fact, in this case it is always possible to find a finite…