Related papers: Energy Landscape of State-Specific Electronic Stru…
We study the accuracy of analytical wave function based many-body methods derived by energy minimization of a Jastrow-Feenberg ansatz for electrons (`Fermi hypernetted chain / Euler Lagrange' approach). Approximations to avoid the…
We discuss how searching for finite amplitude disturbances of a given energy which maximise their subsequent energy growth after a certain later time $T$ can be used to probe phase space around a reference state and ultimately to find other…
Elastic structures can be designed to exhibit precise, complex, and exotic functions. While recent work has focused on the quasistatic limit governed by force balance, the mechanics at a finite driving rate are governed by Newton's…
The inherent structures ({\it IS}) are the local minima of the potential energy surface or landscape, $U({\bf r})$, of an {\it N} atom system. Stillinger has given an exact {\it IS} formulation of thermodynamics. Here the implications for…
A precise study within variational approach of the basic properties of the three-particle spectrum and structure functions with Gaussian potential near the critical coupling constant of interaction where the Efimov effect takes place is…
We construct a set of exact ground states with a localized ferromagnetic domain wall and with an extended spiral structure in a deformed flat-band Hubbard model in arbitrary dimensions. We show the uniqueness of the ground state for the…
The article reviews recent developments in the theory of fluctuations and correlations of energy levels and eigenfunction amplitudes in diffusive mesoscopic samples. Various spatial geometries are considered, with emphasis on…
The exact evolution of a system coupled to a complex environment can be described by a stochastic mean-field evolution of the reduced system density. The formalism developed in Ref. [D.Lacroix, Phys. Rev. E77, 041126 (2008)] is illustrated…
Energy spectra and spin configurations of a system of N=4 electrons in lateral double quantum dots (quantum dot Helium molecules) are investigated using exact diagonalization (EXD), as a function of interdot separation, applied magnetic…
The performance of many-body perturbation theory for calculating ground-state properties is investigated. We present fully numerical results for the electron gas in three and two dimensions in the framework of the GW approximation. The…
Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic basis sets tend to underrepresent the long-range tail, overly…
We have studied the topology of the energy landscape of a spin-glass model and the effect of frustration on it by looking at the connectivity and disconnectivity graphs of the inherent structure. The connectivity network shows the adjacency…
We study the effect of electron-electron interaction on the charge and spin structures at the edge of integer quantum Hall liquids, under three different kinds of confining potentials. Our exact diagonalization calculation for small systems…
We show that, as in Hartree Fock theory, the orbitals for excited state mean field theory can be optimized via a self-consistent one-electron equation in which electron-electron repulsion is accounted for through mean field operators. In…
We explore the energy content of superpositions of current states. Specifically, we focus on the maximum energy that can be extracted from them through local unitary transformations. The figure of merit we employ is the local ergotropy. We…
Many problems in physics, material sciences, chemistry and biology can be abstractly formulated as a system that navigates over a complex energy landscape of high or infinite dimensions. Well-known examples include phase transitions of…
We present a modification of the $\Delta$SCF method of calculating energies of excited states, in order to make it applicable to resonance calculations of molecules adsorbed on metal surfaces, where the molecular orbitals are highly…
It is difficult to relate the properties of liquids and glasses directly to their structure because of complexity in the structure which defies precise definition. The potential energy landscape (PEL) approach is a very insightful way to…