Related papers: The Electronic Ground State Energy Problem: a New …
A new order-N method for calculating the electronic structure of general (non-tight-binding) potentials is presented. The method uses a combination of the ``purification''-based approaches used by Li, Nunes and Vanderbilt, and Daw, and a…
The Pade approximant technique and the variational Monte Carlo method are applied to determine the ground-state energy of a finite number of charged bosons in two dimensions confined by a parabolic trap. The particles interact repulsively…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…
We compute the ground state energy of two atoms in a one-dimensional geometry of a harmonic optical trap. We obtain a dependence of the energy on a one-dimensional scattering length, which corresponds to various strengths of the interaction…
Energy minimization algorithms, such as graph cuts, enable the computation of the MAP solution under certain probabilistic models such as Markov random fields. However, for many computer vision problems, the MAP solution under the model is…
We prove the Lee-Huang-Yang formula for the ground state energy of the 3D Bose gas with repulsive interactions described by the exponential function, in a simultaneous limit of weak coupling and high density. In particular, we show that the…
According to a formula that was put forward many decades ago the ground state energy per particle of an interacting, dilute Bose gas at density $\rho$ is $2\pi\hbar^2\rho a/m$ to leading order in $\rho a^3\ll 1$, where $a$ is the scattering…
We propose a new quantum computational way of obtaining a ground-state energy and expectation values of observables of interacting Hamiltonians. It is based on the combination of the adiabatic quantum evolution to project a ground state of…
We derive new duality relations that link the energy of configurations associated with a class of soft pair potentials to the corresponding energy of the dual (Fourier-transformed) potential. We apply them by showing how information about…
We show the existence of bound two-electron states in an almost depleted two-dimensional island. These two-electron states are carried by special compact configurations of four single-electron levels. The existence of these states does not…
Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent…
Excited-state properties of highly correlated systems are key to understanding photosynthesis, luminescence, and the development of novel optical materials, but accurately capturing their interactions is computationally costly. We present…
We present a correction method for the pair density (PD) to get close to the ground state one. The PD is corrected to be a variationally-best PD within the search region that is extended by adding the uniformly-scaled PDs to its elements.…
The ground states of N-electron parabolic quantum dots in the presence of a perpendicular magnetic field are investigated. Rigorous lower bounds to the ground-state energies are obtained. It is shown that our lower bounds agree well with…
We present an effective theory describing the low-energy properties of an interacting 2D electron gas at large non-integer filling factors $\nu\gg 1$. Assuming that the interaction is sufficiently weak, $r_s < 1$, we integrate out all the…
In 1963, a Simple Approach was developed to study the ground state energy of an interacting Bose gas. It consists in the derivation of an Equation, which is not based on perturbation theory, and which gives the exact expansion of the energy…
New, approximate, two-electron wavefunctions are introduced for the two-electron atoms (cations), which account remarkably well for the ground-state energies and the lowest-excxited states (where available). A new scheme of electronic…
Bounded interactions are particularly important in soft-matter systems, such as colloids, microemulsions, and polymers. We derive new duality relations for a class of soft potentials, including three-body and higher-order functions, that…
We study the energy spectrum of a system of localized states coupled to a 2D electron gas in strong magnetic field. If the energy levels of localized states are close to the electron energy in the plane, the system exhibits a kind of…