Related papers: H-wave -- A Python package for the Hartree-Fock ap…
Slow flows of an ideal compressible fluid (gas) in the gravity field in the presence of two isentropic layers are considered, with a small difference of specific entropy between them. Assuming irrotational flows in each layer [that is ${\bf…
Isoscalar dipole (compression) mode is studied first using schematic harmonic-oscillator model and, then, the self-consistent Hartree-Fock (HF) and random phase approximation (RPA) solved in coordinate space. Taking ^{208}Pb and the SkM*…
We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems.…
Variational (Rayleigh-Ritz) methods are applied to local quantum field theory. For scalar theories the wave functional is parametrized in the form of a superposition of Gaussians and the expectation value of the Hamiltonian is expressed in…
The framework of the Perturbed Static Path Approximation (PSPA) is used to calculate the partition function of a finite Fermi system from a Hamiltonian with a separable two body interaction. Therein, the collective degree of freedom is…
In this article, a numerical analysis of the projector augmented-wave (PAW) method is presented, restricted to the case of dimension one with Dirac potentials modeling the nuclei in a periodic setting. The PAW method is widely used in…
Some general features of the spectrum of the Hartree-Fock-Bogoliubov equations are examined. Special attention is paid to the asymptotic behavior of the single quasiparticle wave functions (s.qp.w.fs.), matter density distribution and…
The canonical one-band Hubbard model is studied using a computational method that mixes the Monte Carlo procedure with the mean field approximation. This technique allows us to incorporate thermal fluctuations and the development of…
Simulating quantum many-body systems represents a fundamental challenge where classical machine learning methods are severely bottlenecked by the exponential curse of dimensionality. Variational Quantum Algorithms (VQAs) offer a native…
We propose a method to construct the ground state $\psi(\lambda)$ of local lattice hamiltonians with the generic form $H_0 + \lambda H_1$, where $\lambda$ is a coupling constant and $H_0$ is a hamiltonian with a non degenerate ground state…
We have used the Hartree-Fock Random Phase Approximation (HF-RPA) to study the interacting electron gas in a quantum wire. The spectra of intersubband spin-flip excitations reveal a considerable red shift with respect to single-particle HF…
The Hamiltonian operator plays a central role in quantum theory being a generator of unitary quantum dynamics. Its expectation value describes the energy of a quantum system. Typically being a non-unitary operator, the action of the…
We propose a new, alternative method for ab-initio calculations of the electronic structure of solids, which has been specifically adapted to treat many-body effects in a more rigorous way than many existing ab-initio methods. We start from…
The thermodynamics of the inhomogeneous one-dimensional repulsive fermionic Hubbard model with parabolic confinement is studied by a density-functional theory approach, based on Mermin's generalization to finite temperatures. A…
The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell-model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature…
We present an ideal system of interacting fermions where the solutions of the many-body Schroedinger equation can be obtained without making approximations. These exact solutions are used to test the validity of two many-body effective…
A variational and perturbative treatment is provided for a family of generalized spiked harmonic oscillator Hamiltonians H = -(d/dx)^2 + B x^2 + A/x^2 + lambda/x^alpha, where B > 0, A >= 0, and alpha and lambda denote two real positive…
The fermionic Hubbard model (FHM)[1], despite its simple form, captures essential features of strongly correlated electron physics. Ultracold fermions in optical lattices[2, 3] provide a clean and well-controlled platform for simulating…
Background: For nuclei heavier than $^{208}$Pb $\alpha$ decay is a dominating decay mode, and in the search of new superheavy elements one often observes chains of $\alpha$ decays. Purpose: Explore and test microscopic descriptions of…
We calculate rovibrational energy levels of H$_2$O using a trapped-ion quantum computer. We first derive the qubit form of Watson's Hamiltonian, including the rovibrational coupling terms. In a second step, we employ a variant of the…