相关论文: Optimal Slater-determinant approximation of fermio…

The definition for the Slater-type orbitals is generalized. Transformation between an orthonormal basis function and the Slater-type orbital with non-integer principal quantum numbers is investigated. Analytical expressions for the linear…

We consider classical shadows of fermion wavefunctions with $\eta$ particles occupying $n$ modes. We prove that all $k$-Reduced Density Matrices (RDMs) may be simultaneously estimated to an average variance of $\epsilon^{2}$ using at most…

We study the composite fermion construction at and below the single vortex ($L=N$) state of weakly interacting rotating Bose gases, presenting a new method for handling the large number of derivatives typically occurring via the Slater…

We investigate the algorithms for dynamical overlap fermions aiming at improving the performance for large-scale simulations. We look for the best combination of Hybrid Monte Carlo options and iterative quark solvers with respect to the…

It was realized from the early days of Chemical Physics (Rev. Mod. Phys. 35, 496 (1963)) that the energy $E_{HF}$ of the Slater determinant (SlDet) $|\Phi _{HF}\rangle$, obtained by the single particle Hartree-Fock (HF) equation, does not…

The spin density wave (SDW) state of the uniform electron gas is investigated in the exact exchange approximation of noncollinear spin density functional theory (DFT). Unlike in Hartree-Fock theory, where the uniform paramagnetic state of…

Selected configuration interaction (SCI) methods, when complemented with a second-order perturbative correction, provide near full configuration interaction (FCI) quality energies with only a small fraction of the Slater determinants of the…

Correlator product states (CPS) are a class of tensor network wavefunctions applicable to strongly correlated problems in arbitrary dimensions. Here, we present a method for optimizing and evaluating the energy of the CPS wavefunction that…

The Slater orbitals are the natural basis functions in quantum molecular calculations. Three-center repulsion Coulomb-exchange integrals over Slater orbitals are evaluated analytically with arbitrary orbital exponents, first for linear…

We study the iron dimer by using an accurate ansatz for quantum chemical calculations based on a simple variational wave function, defined by a single geminal expanded in molecular orbitals and combined with a real space correlation factor.…

In this paper we compare three different orthogonal systems in $\mathrm{L}_2(\mathbb{R})$ which can be used in the construction of a spectral method for solving the semi-classically scaled time dependent Schr\"odinger equation on the real…

Spectral approximation based on Hermite-Fourier expansion of the Vlasov-Poisson model for a collisionless plasma in the electro-static limit is provided, by including high-order artificial collision operators of Lenard-Bernstein type. These…

Exploring strongly correlated spinful states of few fermionic ultracold atoms in a rapidly rotating trap, an example of which was recently realized for two fermionic $^6$Li atoms in an optical tweezer, we derive analytical (algebraic)…

We theoretically study spin-$1/2$ fermions confined to two spatial dimensions and experiencing isotropic short-range attraction in the presence of both spin-orbit coupling and Zeeman spin splitting - a prototypical system for developing…

The canonical thermodynamic properties of a one-dimensional system of interacting spin-1/2 fermions with an attractive zero-range pseudo-potential are investigated within an exact approach. The density operator is evaluated as the…

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…

We consider a system of fermions with local interactions on a lattice (Hubbard model) and apply a novel extension of the Laplace's method (saddle-point approximation) for evaluating the corresponding partition function. There, we introduce…

We show that, under certain combinations of the parameters governing the interaction of a harmonically trapped ion with a laser beam, it is possible to find one or more exact eigenstates of the Hamiltonian, with no approximations except the…

We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…

The subject matter of this paper concerns the derivation of the finite Larmor radius approximation, when collisions are taken into account. Several studies are performed, corresponding to different collision kernels. The main motivation…