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

We study a set of many-body wave-functions of Fermions that are naturally written using momentum space basis and allow for quantum superposition of Fermion occupancy, $\{n_{\bf k}\}$. This {enables} us to capture the fluctuations of the…

The basic question is addressed, how the space dimension $d$ is encoded in the Hilbert space of $N$ identical fermions. There appears a finite number $N!^{d-1}$ of many-body wave functions, called shapes, which cannot be generated by…

The electronic Schr\"odinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wavefunctions, depend on 3N variables, three spatial…

We demonstrate that extending the Shadow Wave Function to fermionic systems facilitates to accurately calculate strongly-correlated multi-reference systems such as the stretched H2 molecule. This development considerably extends the scope…

The theoretical need to study the properties of the Fe-based high-T_c superconductors with reliable many-body techniques requires us to determine the minimum number of orbital degrees of freedom that will capture the physics of these…

We calculate the effective electromagnetic Lagrangian up to the lowest-order corrections in the derivatives for two fermionic systems of interest in condensed matter physics in the linearized approximation of the tight-binding Hamiltonian…

In Fermionic Molecular Dynamics the occurrence of multifragmentation depends strongly on the intrinsic structure of the many-body state. Slater determinants with narrow single-particle states and a cluster substructure show…

Understanding the structure of quantum correlations in a many-body system is key to its computational treatment. For fermionic systems, correlations can be defined as deviations from Slater determinant states. The link between fermionic…

We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…

Orthogonality catastrophe in fermionic systems is well known: in the thermodynamic limit, the overlap between the ground state wavefunctions with and without a single local scattering potential approaches zero algebraically as a function of…

An efficient and expressive wavefunction ansatz is key to scalable solutions for complex many-body electronic structures. While Slater determinants are predominantly used for constructing antisymmetric electronic wavefunction ans\"{a}tze,…

For a quantum system of N identical, harmonically interacting particles in a one-dimensional harmonic trap we calculate for the bosonic and fermionic ground state the corresponding 1-particle reduced density operator $\rho_1$ analytically.…

Using the complete orthonormal basis sets of nonrelativistic and quasirelativistic orbitals introduced by the author in previous papers for particles with arbitrary spin the new analytical relations for the -component relativistic tensor…

Unlike bosons, fermions always have a non-trivial entanglement. Intuitively, Slater determinantal states should be the least entangled states. To make this intuition precise we investigate entropy and entanglement of fermionic states and…

We introduce Fermi Sets, a universal and physically interpretable neural architecture for fermionic many-body wavefunctions. Building on a ``parity-graded'' representation [1], we prove that any continuous fermionic wavefunction on a…

We compare the efficiency of four different algorithms to compute the overlap Dirac operator, both for the speed, i.e., time required to reach a desired numerical accuracy, and for the adaptability, i.e., the scaling of speed with the…

The Hubbard Hamiltonian is investigated by means of a variational trial wave function of Gutzwiller's type. The wave function includes nearest - neighbor correlations in an explicit form. To calculate density matrices the method of…

We present an extension of the L\"owdin strategy to find arbitrary matrix elements of generic Slater determinants. The new method applies to arbitrary number of fermionic operators, even in the case of a singular overlap matrix.

Among the variational wave functions for Fermionic Hamiltonians, neural network backflow (NNBF) and hidden fermion determinant states (HFDS) are two prominent classes to provide accurate approximations to the ground state. Here we develop a…

We derive the Hamiltonian for cold fermionic atoms in an optical lattice across a broad Feshbach resonance, taking into account of both multiband occupations and neighboring-site collisions. Under typical configurations, the resulting…