Related papers: Electronic Structure in a Fixed Basis is QMA-compl…
Traditional quantum physics solves ground states for a given Hamiltonian, while quantum information science asks for the existence and construction of certain Hamiltonians for given ground states. In practical situations, one would be…
Consistency with the Maxwell equations determines how matter must be coupled to the electro-magnetic field (EMF) within the minimal coupling scheme. Specifically, if the Hamiltonian includes just a short-range repulsion among the conduction…
Electron-hole systems on a Haldane sphere are studied by exact numerical diagonalization. Low lying states contain one or more types of bound charged excitonic complexes Xk-, interacting through appropriate pseudopotentials. Incompressible…
The spectrum of atomic hydrogen has long been viewed as a Rosetta stone that bears the key to decode the writings of quantum mechanics in a vast variety of physical, chemical, and biological systems. Here, we show that, in addition to its…
We show that the electronic spectrum of a tight-binding Hamiltonian defined in a quasiperiodic chain with an on-site potential given by a Fibonacci sequence, can be obtained as a superposition of Harper potentials. The electronic spectrum…
We study some properties of generalized global symmetry for the charge-$q$ Schwinger model in the Hamiltonian formalism, which is the $(1+1)$-dimensional quantum electrodynamics with a charge-$q$ Dirac fermion. This model has the…
The use of quantum computers to calculate the ground state (lowest) energies of a spin lattice of electrons described by the Fermi-Hubbard model of great importance in condensed matter physics has been studied. The ability of quantum bits…
In this review we recapitulate the basic features of the flat-band spin systems and briefly summarize earlier studies in the field. Main emphasis is made on recent developments which include results for both spin and electron flat-band…
The flat plane condition is the union of two exact constraints in electronic structure theory: i) energetic piecewise linearity with fractional electron removal or addition and ii) invariant energetics with change in electron spin in a half…
We show how to describe the coupling of electrons to non-uniform magnetic fields in the framework of the widely used norm-conserving pseudopotential appro ximation for electronic structure calculations. Our derivation applies to magnetic…
We study electronic properties of solids with correlated d electrons which could be described by a multiband Hubbard Hamiltonian in the weak-interaction case, $U/w<1$. The one-electron part of the many-body Hamiltonian is described by a…
We review the basic ideas of the dynamical mean field theory (DMFT) and some of the insights into the electronic structure of strongly correlated electrons obtained by this method in the context of model Hamiltonians. We then discuss the…
We consider $N$-particle generalizations of $\eta$-pairing states in a chain of $N$-component fermions and show that these states are exact (high-energy) eigenstates of an extended SU($N$) Hubbard model. We compute the singlet correlation…
We have performed a comprehensive study of the singlet ground state of two electrons on the surface of a sphere of radius $R$. We have used electronic structure models ranging from restricted and unrestricted Hartree-Fock theory to…
We calculate the ground state phase diagram of the homogeneous electron gas in two dimensions within the Hartree-Fock approximation. At high density, we find stable solutions, where the electronic charge and spin density form an…
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the essential physics of rare-earth semiconductors and semimetals.…
Finite strips, composed of a periodic stacking of infinite quasiperiodic Fibonacci chains, have been investigated in terms of their electronic properties. The system is described by a tight binding Hamiltonian. The eigenvalue spectrum of…
At strong on-site repulsion $ U $, the fermionic Hubbard model realizes an extremely correlated electron system. In this regime, it is natural to derive the low-energy physics with the help of non-canonical operators acting on a projected…
We perform first-principles calculation to study the electronic structure of HgBa$_{2}$Ca$_{n-1}$Cu$_{n}$O$_{2n+2+x}$ copper oxides up to $n = 6$ for the undoped parent compound $(x = 0)$ and up to $n = 3$ for the doped compound $(x > 0)$…
The famous, yet unsolved, Fermi-Hubbard model for strongly-correlated electronic systems is a prominent target for quantum computers. However, accurately representing the Fermi-Hubbard ground state for large instances may be beyond the…