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

The Hilbert space for three fermions in six orbitals, lately dubbed the "Borland-Dennis setting," is a proving ground for insights into electronic structure. Borland and Dennis discovered that, when referred to coordinate systems defined in…

We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving "hidden"…

The set of all electronic states that can be expressed as a single Slater determinant forms a submanifold, isomorphic to the Grassmannian, of the projective Hilbert space of wave functions. We explored this fact by using tools of Riemannian…

Wavelets are known to be closely related to atomic orbital. A new approach of 2D, 3D and multidimensional wavelet system is proposed from a paralell with anti-symmetric systems of several isolated particles. The theory of fermionic states…

The calculation of realistic N-body wave functions for identical fermions is still an open problem in physics, chemistry, and materials science, even for N as small as two. A recently discovered fundamental algebraic structure of many-body…

We propose a simple iterative algorithm to construct the optimal multi-configuration approximation of an $N$-fermion wave function. That is, $M\geq N $ single-particle orbitals are sought iteratively so that the projection of the given wave…

In systems undergoing localization-delocalization quantum phase transitions due to disorder or monitoring, there is a crucial need for robust methods capable of distinguishing phases and uncovering their intrinsic properties. In this work,…

There is no unique and widely accepted definition of the complexity measure (CM) of a many-fermion wave function in the presence of interactions. The simplest many-fermion wave function is a Slater determinant. In shell-model or…

We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is…

Fermionic neural network (FermiNet) is a recently proposed wavefunction Ansatz, which is used in variational Monte Carlo (VMC) methods to solve the many-electron Schr\"{o}dinger equation. FermiNet proposes permutation-equivariant…

A method to separate a Slater determinant wave function with a two-center neck structure into spatially localized subsystems is proposed, and its potential applications are presented. An orthonormal set of spatially localized…

We show that a 2-dimensional system of N fermions interacting through a pairwise electric and magnetic singular interactions with Slater initial data preserves its Slater structure over time when N gets large. In other words, the wave…

By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two- and four-component spinor wave functions, and Slater spinor orbitals…

We study the performance of permanent states (the bosonic counterpart of the Slater determinant state) as approximating functions for bosons, with the intention to develop variational methods based upon them. For a system of $N$ identical…

By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two-and four-component spinor wave functions, and Slater spinor orbitals…

We are motivated by tripartite entanglement for fermions. While GHZ or W states involve 3-fold intrication, we consider here piecewise intrication of 3 fermions in ${\bf C}^2$, namely of type $ab+bc+ca$. Before interaction with…

In this paper we give a new and simplified proof of the theorem on selection of standing waves for small energy solutions of the nonlinear Schr\"odinger equations (NLS) that we gave in \cite{CM15APDE}. We consider a NLS with a Schr\"odinger…

We discuss classical algorithms for approximating the largest eigenvalue of quantum spin and fermionic Hamiltonians based on semidefinite programming relaxation methods. First, we consider traceless $2$-local Hamiltonians $H$ describing a…

We consider the behavior of Fermi atoms on optical superlattices with two-well structure of each node. Fermions on such lattices serve as an analog simulator of Fermi type Hamiltonian. We derive a mapping between fermion quantum ordering in…

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…