A discrete density matrix theory for atoms in strong magnetic fields

In this article we discuss the ground state of a parabolically confined quantum dots in the limit of very strong magnetic fields where the electron system is completely spin-polarized and all electrons are in the lowest Landau level. Without electron-electron interactions the ground state is a single Slater determinant corresponding to a droplet centered on the minimum of the confinement potential and occupying the minimum area allowed by the Pauli exclusion principle. Electr...

We investigate the electronic structure of the helium atom in a magnetic field b etween B=0 and B=100a.u. The atom is treated as a nonrelativistic system with two interactin g electrons and a fixed nucleus. Scaling laws are provided connecting the fixed-nucleus Hamiltonia n to the one for the case of finite nuclear mass. Respecting the symmetries of the electronic Ham iltonian in the presence of a magnetic field, we represent this Hamiltonian as a matrix with res pect to a tw...

This paper studies DFT models for homogeneous 2D materials in 3D space, under a constant perpendicular magnetic field. We show how to reduce the three--dimensional energy functional to a one--dimensional one, similarly as in our previous work. This is done by minimizing over states invariant under magnetic translations and that commute with the Landau operator. In the reduced model, the Pauli principle no longer appears. It is replaced by a penalization term in the energy.

We give upper bounds for the number of spin 1/2 particles that can be bound to a nucleus of charge Z in the presence of a magnetic field B, including the spin-field coupling. We use Lieb's strategy, which is known to yield N_c<2Z+1 for magnetic fields that go to zero at infinity, ignoring the spin-field interaction. For particles with fermionic statistics in a homogeneous magnetic field our upper bound has an additional term of order $Z\times\min{(B/Z^3)^{2/5},1+|\ln(B/Z^3)|^...

We consider a large atom with nuclear charge $Z$ described by non-relativistic quantum mechanics with classical or quantized electromagnetic field. We prove that the absolute ground state energy, allowing for minimizing over all possible self-generated electromagnetic fields, is given by the non-magnetic Thomas-Fermi theory to leading order in the simultaneous $Z\to \infty$, $\al\to 0$ limit if $Z\al^2\leq \kappa$ for some universal $\kappa$, where $\al$ is the fine structure...

The phenomenological Landau theory of the spin precession has been used to reproduce the out-of-equilibrium properties of many magnetic systems. However, such an approach suffers from some serious limitations. The main reason is that the spin and the angular momentum of the atoms are described by the classical theory of the angular momentum. We derive a discrete model that extends the Landau theory to the quantum mechanical framework. Our approach is based on the application ...

We consider asymptotics of the ground state energy of heavy atoms and molecules in the self-generatedl magnetic field. Namely, we consider $$ H=((D-A)\cdot\boldsymbol{\sigma})^2-V $$ with $$V=\sum_{1\le m\le M} \frac{Z_m}{|x-y_m|}$$ and a corresponding Multiparticle Quantum Hamiltonian $$ \mathsf{H}=\sum_{1\le n\le N} H_{x_n} +\sum_{1\le n < n'\le N}|x_n-x_{n'}|^{-1} $$ on the Fock space $\wedge _{1\le n\le N} L^2(\mathbb{R}^3, \mathbb{C}^2)$. Here $A$ is a self-generated mag...

The energy levels of the first few low-lying states of helium and lithium atoms in intense magnetic fields up to $\approx 10^8-10^9$~T are calculated in this study. A pseudospectral method is employed for the computational procedure. The methodology involves computing the eigenvalues and eigenvectors of the generalized two-dimensional Hartree-Fock partial differential equations for these two- and three-electron systems in a self-consistent manner. The method exploits the natu...

We introduce a semiclassical model for moving highly excited atomic ions in a magnetic field which allows us to describe the mixing of the Landau orbitals of the center of mass in terms of the electronic excitation and magnetic field. The extent of quantum energy flow in the ion is investigated and a crossover from localization to delocalization with increasing center of mass energy is detected. It turns out that our model of the moving ion in a magnetic field is closely conn...

The quantum description of an atom with a magnetic quadrupole moment in the presence of a time-dependent magnetic field is analysed. It is shown that the time-dependent magnetic field induces an electric field that interacts with the magnetic quadrupole moment of the atom and gives rise to a Landau-type quantization. It is also shown that a time-independent Schr\"odinger equation can be obtained, i.e., without existing the interaction between the magnetic quadrupole moment of...