Related papers: Pyramidal Atoms: Berylliumlike Hollow States
A study of the first excited states of beryllium atom starting from explicitly correlated wave functions is carried out. Several properties are obtained and discussed focusing on the analysis of the Hund's rules in terms of the…
A new dimensional scaling method for the calculation of excited states of multielectron atoms is introduced. By including the principle and orbital quantum numbers in the dimension parameter, we obtain an energy expression for excited…
We consider a quantum many-body model describing a system of electrons interacting with themselves and hopping from one ion to another of a one dimensional lattice. We show that the ground state energy of such system, as a functional of the…
Using a recently developed quantum embedding theory, we present first principles calculations of strongly correlated states of spin defects in diamond. Within this theory, effective Hamiltonians are constructed, which can be solved by…
The nature of electronic excited states has a deep impact on the dynamics of molecular spins, but remains poorly understood and characterized. Here we carry out a thorough multiconfigurational investigation for two prototypical molecular…
Twisted photon states, or photon states with large ($> \hbar$) angular momentum projection in the direction of motion, can photoexcite atomic final states of differing quantum numbers. If the photon symmetry axis coincides with the center…
The motion of electrons and nuclei in photochemical events often involve conical intersections, degeneracies between electronic states. They serve as funnels for nuclear relaxation - on the femtosecond scale - in processes where the…
The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on IBM superconducting quantum computers, focusing on active…
The classical dynamics of two electrons in the Coulomb potential of an attractive nucleus is chaotic in large parts of the high-dimensional phase space. Quantum spectra of two-electron atoms, however, exhibit structures which clearly hint…
From both theoretical and experimental points of view symmetric states constitute an important class of multipartite states. Still, entanglement properties of these states, in particular those with positive partial transposition (PPT), lack…
We present a study of the two dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories including the…
The ground-state phase diagram of the asymmetric Hubbard model is studied in one and two dimensions by a well-controlled numerical method. The method allows to calculate directly the probabilities of particular phases in the approximate…
We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling of the experimental bending spectrum of…
We study ground states and excited states in semiconductor quantum dots containing 1 to 12 electrons. For the first time, it is possible to identify the quantum numbers of the states in the excitation spectra and make a direct comparison to…
We solve the open question of the existence of four-qubit entangled symmetric states with positive partial transpositions (PPT states). We reach this goal with two different approaches. First, we propose a half-analytical-half-numerical…
Circular Rydberg states offer advantages for quantum information and quantum simulation platforms due to their long lifetimes and strong dipole-dipole interactions. Unfortunately, current techniques for the production of these states remain…
We present a theoretical study of the low-energy physics of a quarter-hole-filled two-orbital bilayer Hubbard model motivated by transition-metal bilayer systems with strong orbital-selective interlayer hybridization. By explicitly treating…
A semi-microscopic model to study the neutron and proton induced backbending phenomena in some deformed even-even nuclei from the rare earth region, is proposed. The space of particle-core states is defined by the angular momentum…
The ground state correlations induced by a general pairing Hamiltonian in a finite system of like fermions are described in terms of four-body correlated structures (quartets). These are real superpositions of products of two pairs of…
The entanglement of multi-atom quantum states is considered. In order to cancel noise due to inhomogeneous light atom coupling, the concept of matched multi-atom observables is proposed. As a means to eliminate an important form of…