Spectral Structures And Electronic Behaviors Of One-Electron Systems In Strong Magnetic Fields

The properties of atoms and molecules under strong magnetic fields have always been a research focus in physics. The subject of atomic and molecular systems in magnetic fields is a very interesting branch in the physics. The corresponding investigation plays an important role on the development of physics. Since the discovery of the strong magnetic field on while dwarfs and neutron stars and the diamagnetism (quadratic Zeeman Effect) in strong magnetic field, the electronic structure and properties of atomic and molecular systems in strong magnetic fields have been paid much attention by the physical community. In this thesis, we study the spectral structures of one-electron atomic systems under strong magnetic fields. The main achievements are as follows:First, we construct the wave functions of single-electron atom systems in strong magnetic field with the anisotropic Gaussian basis, and obtain the overlap matrix elements. The kinetic energy term, Zeeman and diamagnetic term can be reduced to overlap matrix element. The analytic expression of the nuclear-electronic term is obtained with the help of the Singer transformation.Second, we investigate the structure and characteristics of single electronic atom, such as H、He+ and Li2+ in the magnetic field ranging from 0 to 2.35×107 T by this method, and calculate the ground and first excited states in the subspace of 0+,0-, (-1)+, (-1)-, (-2)+ and (-2)-. We also calculate the corresponding average kinetic, potential, and diamagnetic energies for all the states, as well as the average distances in xy plane and z direction.Finally, we compare the average kinetic energies and the average distances in xy plane for different atoms.