相关论文: Approaching the Full Configuration Interaction Low…
NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that require shallow circuit depths and low qubit counts to take…
Trapped two-component Fermi gases allow for the investigation of the so-called BCS-BEC crossover by tuning the interspecies atom-atom $s$-wave scattering length scattering $a^{(aa)}$ from attractive to repulsive, including vanishing and…
Due to their diverse nature, the faithful description of excited states within electronic structure theory methods remains one of the grand challenges of modern theoretical chemistry. Quantum Monte Carlo (QMC) methods have been applied very…
A configuration-interaction model is presented for the barrier region of induced fission. The configuration space is composed of seniority-zero configurations constructed from self-consistent mean-field wave functions. The Hamiltonian…
We derive rigorously the leading order of the correlation energy of a Fermi gas in a scaling regime of high density and weak interaction. The result verifies the prediction of the random-phase approximation. Our proof refines the method of…
We show that, in certain circumstances, exact excitation energies appear as locally site-independent (or flat) modes if one records the excitation spectrum of the effective Hamiltonian while sweeping through the lattice in the variational…
We provide an accurate calculation of the energy spectrum of three atoms interacting through a contact force in a one-dimensional harmonic trap, considering both spinful fermions and spinless bosons. We use fermionic energies as a benchmark…
We propose a novel quantum Monte Carlo method in configuration space, which stochastically samples the contribution from a large secondary space to the effective Hamiltonian in the energy dependent partitioning of L\"owdin. The method…
An effective field theory developed for systems interacting through short-range interactions can be applied to systems of cold atoms with a large scattering length and to nucleons at low energies. It is therefore the ideal tool to analyze…
We study the ground-state of a Fermi gas with short range attrative interactions in one or two dimensions. N fermions are placed in a confining potential, and interact with each other through a negative potential, whose range is larger than…
Contact probabilities between loci, separated by arbitrary genomic distance, for a number of cell types have been reported using genome-wide chromosome conformation capture (Hi-C) experiments. How to extract the effective interaction…
We propose a configuration-interaction (CI) representation to calculate induced nuclear fission with explicit inclusion of nucleon-nucleon interactions in the Hamiltonian. The framework is designed for easy modeling of schematic…
We present a functional renormalization group (fRG) treatment of trigonal graphene nanodiscs and composites thereof, modeled by finite-size Hubbard-like Hamiltonians with honeycomb lattice structure. At half filling, the noninteracting…
We report an approach for determination of zero-field splitting parameters from four-component relativistic calculations. Our approach involves neither perturbative treatment of spin-orbit interaction nor truncation of the spin-orbit…
We derive the ground-state energy for a small number of ultracold atoms in an isotropic harmonic trap using effective quantum field theory (EFT). Atoms are assumed to interact through pairwise energy-independent and energy-dependent…
A major obstacle to non-convex optimization is the problem of getting stuck in local minima. We introduce a novel metaheuristic to handle this issue, creating an alternate Hamiltonian that shares minima with the original Hamiltonian only…
In this paper, a simple geometric structure is shown, which underlies the interaction Hamiltonian of quantum electrodynamics. Specifically, eight parts of the interaction Hamiltonian, corresponding to eight basic Feynman diagrams, are found…
In the derivation of low-energy effective models for solids targeting the bands near the Fermi level, the constrained random phase approximation (cRPA) has become an appreciated tool to compute the effective interactions. The Wick-ordered…
We report calculation of the energy spectrum and the spectroscopic properties of the superheavy element ion: Rf^+. We use the 4-component relativistic Dirac-Coulomb Hamiltonian and the multireference configuration interaction (MRCI) model…
The localized active space self consistent field (LASSCF) method factorizes a complete active space (CAS) wave function into an antisymmetrized product of localized active space wave function fragments. Correlation between fragments is then…