10,714 research outputs found
Exchange and correlation energies of ground states of atoms and molecules in strong magnetic fields
Using a Hartree-Fock mesh method and a configuration interaction approach
based on a generalized Gaussian basis set we investigate the behaviour of the
exchange and correlation energies of small atoms and molecules, namely th e
helium and lithium atom as well as the hydrogen molecule, in the presence of a
magnetic field covering the regime B=0-100a.u. In general the importance of the
exchange energy to the binding properties of at oms or molecules increases
strongly with increasing field strength. This is due to the spin-flip
transitions and in particular due to the contributions of the tightly bound
hydrogenic state s which are involved in the corresponding ground states of
different symmetries. In contrast to the exchange energy the correlation energy
becomes less relevant with increasing field strength. This holds for the
individual configurations constituting the ground state and for the crossovers
of the global ground state.Comment: 4 Figures acc.f.publ.in Phys.Rev.
Energy levels of light atoms in strong magnetic fields
In this review article we provide an overview of the field of atomic
structure of light atoms in strong magnetic fields. There is a very rich
history of this field which dates back to the very birth of quantum mechanics.
At various points in the past significant discoveries in science and technology
have repeatedly served to rejuvenate interest in atomic structure in strong
fields, broadly speaking, resulting in three eras in the development of this
field; the historical, the classical and the modern eras. The motivations for
studying atomic structure have also changed significantly as time progressed.
The review presents a chronological summary of the major advances that occurred
during these eras and discusses new insights and impetus gained. The review is
concluded with a description of the latest findings and the future prospects
for one of the most remarkably cutting-edge fields of research in science
today.Comment: 37 pages, 16 figures, 1 tabl
Hydrogen molecule in a magnetic field: The lowest states of the Pi manifold and the global ground state of the parallel configuration
The electronic structure of the hydrogen molecule in a magnetic field is
investigated for parallel internuclear and magnetic field axes. The lowest
states of the manifold are studied for spin singlet and triplet as well as gerade and ungerade parity for a broad range of field
strengths For both states with gerade parity we
observe a monotonous decrease in the dissociation energy with increasing field
strength up to and metastable states with respect to the
dissociation into two H atoms occur for a certain range of field strengths. For
both states with ungerade parity we observe a strong increase in the
dissociation energy with increasing field strength above some critical field
strength . As a major result we determine the transition field strengths
for the crossings among the lowest , and
states. The global ground state for is the strongly
bound state. The crossings of the with the
and state occur at and , respectively. The transition between the and
state occurs at Therefore, the global ground state of the
hydrogen molecule for the parallel configuration is the unbound
state for The ground state for is the strongly bound state. This result is of great
relevance to the chemistry in the atmospheres of magnetic white dwarfs and
neutron stars.Comment: submitted to Physical Review
Finite-Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields
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 molecules in strong external fields where neither the external field
nor the internal interactions can be considered as a perturbation. The
applications of the present approach include calculations of atoms and diatomic
molecules in strong static electric and magnetic fields. For the latter we have
carried out Hartree-Fock calculations for He, Li, C and several other atoms.
This yields in particular the first comprehensive investigation of the ground
state configurations of the Li and C atoms in the whole range of magnetic
fields (0<B<10000 a.u.) and a study of the ground state electronic
configurations of all the atoms with 1<Z<11 and their ions A^+ in the
high-field fully spin-polarised regime. The results in a case of a strong
electric field relate to single-electron systems including the correct solution
of the Schroedinger equation for the H_2^+ ion (energies and decay rates) and
the hydrogen atom in strong parallel electric and magnetic fields.Comment: 20 pages, 7 figure
Hydrogen atom moving across a strong magnetic field: analytical approximations
Analytical approximations are constructed for binding energies,
quantum-mechanical sizes and oscillator strengths of main radiative transitions
of hydrogen atoms arbitrarily moving in magnetic fields 10^{12}-10^{13} G.
Examples of using the obtained approximations for determination of maximum
transverse velocity of an atom and for evaluation of absorption spectra in
magnetic neutron star atmospheres are presented.Comment: 17 pages, 3 figures, 5 tables, LaTeX with IOP style files (included).
In v.2, Fig.1 and Table 5 have been corrected. In v.3, a misprint in the fit
for oscillator strengths, Eq.(21), has been correcte
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