Related papers: Harmonium as a laboratory for mathematical chemist…
The determination of the two-body density functional from its one-body density is achieved for Moshinsky's harmonium model, using a phase-space formulation, thereby resolving its phase dilemma. The corresponding sign rules can equivalently…
The harmonium model has long been regarded as an exactly solvable laboratory bench for quantum chemistry [Heisenberg, 1926]. For studying correlation energy, only the ground state of the system has received consideration heretofore. This is…
The Schr\"odinger equation in phase space is used to calculate the Wigner function for the Helium atom in the approximation of a system of two oscillators. Dissipation effect is analysed and the non-classicality of the state is studied by…
A new version of random phase approximation is proposed for low-energy harmonic vibrations in nuclei. The theory is not based on the quasi-particle vacuum of the BCS/HFB ground state, but on the pair condensate determined in Ref. [4]. The…
We examine the medium time quantum dynamics and population equilibration of two, three and four-well Bose-Hubbard models using stochastic integration in the truncated Wigner phase-space representation. We find that all three systems will…
A harmonic oscillator model in four dimensions is presented for the helium atom to estimate the distance to the inner and outer electron from the nucleus, the angle between electrons and the energy levels. The method is algebraic and is not…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
In this thesis concrete quantum systems are investigated in the framework of the environment induced decoherence. The focus is on the dynamics of highly nonclassical quantum states, the Wigner function of which are negative over some…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
In this work we provide a complete model of semiclassical theories by including back-reaction and correlation into the picture. We specially aim at the interaction between light and a two-level atom, and we also illustrate it via the…
Based on a generalization of Hohenberg-Kohn's theorem, we propose a ground state theory for bosonic quantum systems. Since it involves the one-particle reduced density matrix $\gamma$ as a natural variable but still recovers quantum…
We present analytical solutions to a quantum-mechanical three-body problem in three dimensions, which describes a helium-like two-electron atom. Similarly to Hooke's atom, the Coulombic electron-nucleus interaction potentials are replaced…
The paper introduces a simple quantum model to calculate in a general way allowed frequencies and energy levels of the anharmonic oscillator. The theoretical basis of the approach has been introduced in two early papers aimed to infer the…
We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…
In the `Many Interacting Worlds' (MIW) discrete Hamiltonian system approximation of Schr\"odinger's wave equation, introduced in \cite{hall_2014}, convergence of ground states to the Normal ground state of the quantum harmonic oscillator,…
Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…
We introduce an approximate phase-space technique to simulate the quantum dynamics of interacting bosons. With the future goal of treating Bose-Einstein condensate systems, the method is designed for systems with a natural separation into…
Our goal is to clarify the relation between entanglement and correlation energy in a bipartite system with infinite dimensional Hilbert space. To this aim we consider the completely solvable Moshinsky's model of two linearly coupled…
To quantify the effect of decoherence in quantum measurements, it is desirable to measure not merely the square modulus of the spatial wavefunction, but the entire density matrix, whose phases carry information about momentum and how pure…
The numerical solution of the many-body problem of interacting electrons and ions is a key challenge in condensed matter physics, chemistry, and materials science. Traditional methods to solve the multi-component quantum Hamiltonian are…