相关论文: Quantum phase transition in the Hartree-Fock wave …
We perform Hartree-Fock calculations to show that quantum dots (i.e. two dimensional systems of up to twenty interacting electrons in an external parabolic potential) undergo a gradual transition to a spin-polarized Wigner crystal with…
The quantum phase transition in an atom-molecule conversion system with atomic hopping between different hyperfine states is studied. In mean field approximation, we give the phase diagram whose phase boundary only depends on the atomic…
We perform unrestricted Hartree-Fock (HF) calculations for electrons in a parabolic quantum dot at zero magnetic field. The crossover from Fermi liquid to Wigner molecule behavior is studied for up to eight electrons and various spin…
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of molecular integrals that can then be used to calculate…
Quantum phase transitions are sudden changes in the ground-state wavefunction of a many-body system that can occur as a control parameter such as a concentration or a field strength is varied. They are driven purely by the competition…
We perform a Hartree-Fock calculation in order to describe the ground state of a vertical double quantum dot in the absence of magnetic fields parallel to the growth direction. Intra- and interdot exchange interactions determine the singlet…
The scattering phase shift of an electron transferred through a quantum dot is studied within a model Hamiltonian, accounting for both the electron--electron interaction in the dot and a finite temperature. It is shown that, unlike in an…
The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the…
We perform quantum mechanically exact calculations of resonances in the spectrum of the hydrogen atom in crossed external fields and establish a close connection between the classical transition state in phase space and features in the…
We calculate the ground state phase diagram of the homogeneous electron gas in two dimensions within the Hartree-Fock approximation. At high density, we find stable solutions, where the electronic charge and spin density form an…
Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Nuclei exhibit quantum phase transitions (earlier called ground state phase transitions) between different shapes as the number of nucleons is modified, resulting in changes in the ground and low lying nuclear states. Special solutions of…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
It is shown that, in the self-consistent quantum statistical Hartree-Fock approximation, the number of electronic states localized on one nucleus is finite. This result is obtained on the basis of the general electron-nuclear model of…
Phase transformations such as freezing typically start with heterogeneous nucleation. Heterogeneous nucleation near a wetting transition, of a crystalline phase is studied. The wetting transition occurs at or near a vapour-liquid transition…
We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous…
We study the zero-temperature quantum phase transition between liquid and hcp solid helium-4. We use the variational method with a simple yet exchange-symmetric and fully explicit wavefunction. It is found that the optimized wavefunction…
We compute the ground state energy of atoms and quantum dots with a large number N of electrons. Both systems are described by a non-relativistic Hamiltonian of electrons in a d-dimensional space. The electrons interact via the Coulomb…
Calculations for two electrons in an elliptic quantum dot, using symmetry breaking at the unrestricted Hartree-Fock level and subsequent restoration of the broken parity via projection techniques, show that the electrons can localize and…
We present a phase-space representation of the hydrogen atom using the Kirkwood-Rikaczek distribution function. This distribution allows us to obtain analytical results, which is quite unique because an exact analytical form of the Wigner…