Related papers: Holomorphic Hartree-Fock Theory and Configuration …
We systematically study inhomogeneous Hamiltonians in two-dimensional conformal field theories within the framework of the AdS/CFT correspondence by relating them to two-dimensional curved backgrounds. We propose a classification of…
As the search continues for useful applications of noisy intermediate scale quantum devices, variational simulations of fermionic systems remain one of the most promising directions. Here, we perform a series of quantum simulations of…
In this paper we revisit the derivation of a nonlocal interfacial Hamiltonian model for systems with short-ranged intermolecular forces. Starting from a microscopic Landau-Ginzburg-Wilson Hamiltonian with a double parabola potential, we…
We propose a practical way to overcome the ubiquitous problem of the overestimation of the zero-bias and zero-temperature conductance, which is associated to the use of local approximations to the exchange-correlation functional in…
Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlation but does not properly describe weakly correlated systems. Coupled cluster theory, in contrast, does the opposite. It therefore seems natural…
To obtain the basis for combining various many-body techniques to QED in a consistent manner, we investigate the theory of quantum electrodynamical self-consistent fields. The reserch interest was born mainly of the electronic structure…
L\"owdin's symmetry dilemma is an ubiquitous issue in approximate quantum chemistry. In the context of Hartree-Fock (HF) theory, the use of Slater determinants with some imposed constraints to preserve symmetries of the exact problem may…
In this work we use Hodge theoretic methods to study homotopy types of complex projective manifolds with arbitrary fundamental groups. The main tool we use is the \textit{schematization functor} $X \mapsto (X\otimes \mathbb{C})^{sch}$,…
We study the long time behavior of small solutions to the semi-relativistic Hartree equations in two dimension. The nonlinear term is convolved with the singular potential $|x|^{-\gamma}$ for $1<\gamma<2$, which is referred to as…
We construct infinitely many non-diffeomorphic examples of $5$-dimensional contact manifolds which are tight, admit no strong fillings, and do not have Giroux torsion. We obtain obstruction results for symplectic cobordisms, for which we…
Helical configurations of inhomogeneous symmetric rods with non-constant bending and twisting stiffness are studied within the framework of the Kirchhoff rod model. From the static Kirchhoff equations, we obtain a set of differential…
We introduce the Hamiltonian dynamics with the Hartree-Fock energy in new {\it wave-matrix} picture. Roughly speaking, the wave matrix is defined as the square root of the density matrix. The corresponding Hamiltonian equations are…
$\mathcal{PT}$-symmetry --- invariance with respect to combined space reflection $\mathcal{P}$ and time reversal $\mathcal{T}$ --- provides a weaker condition than (Dirac) Hermiticity for ensuring a real energy spectrum of a general…
In this paper, we apply the geometric Hamilton--Jacobi theory to obtain solutions of classical hamiltonian systems that are either compatible with a cosymplectic or a contact structure. As it is well known, the first structure plays a…
We explore certain properties of the Hartree-Fock approximation to the ground state of the two-dimensional Hubbard model, emphasizing the fact that in the Hartree approach there is an enormous multiplicity of self-consistent solutions which…
Former results for a Tight-Binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main…
Density functional theory (DFT) can run into serious difficulties with localized states in elements such as transition metals with occupied-d states and oxygen. In contrast, Hartree-Fock (HF) method can be a better approach for such…
Holographic quantum error correcting codes (HQECC) have been proposed as toy models for the AdS/CFT correspondence, and exhibit many of the features of the duality. HQECC give a mapping of states and observables. However, they do not map…
We study conformational transitions of simple coarse-grained models for protein-like heteropolymers on the simple cubic lattice and off-lattice, respectively, by means of multicanonical sampling algorithms. The effective hydrophobic/polar…
The Hartree-Fock (HF) approximation has been an important tool for quantum-chemical calculations since its earliest appearance in the late 1920s, and remains the starting point of most single-reference methods in use today. Intuition…