Magnetically Catalyzed Fusion

We calculate the reaction cross-sections for the fusion of hydrogen and deuterium in strong magnetic fields as are believed to exist in the atmospheres of neutron stars. We find that in the presence of a strong magnetic field (B \gsim 10^{12}G), the reaction rates are many orders of magnitude higher than in the unmagnetized case. The fusion of both protons and deuterons are important over a neutron star's lifetime for ultrastrong magnetic fields ($B \sim 10^{16}$G). The enhancement may have dramatic effects on thermonuclear runaways and bursts on the surfaces of neutron stars.Comment: 13 pages, 6 figure

Lithium in strong magnetic fields

The electronic structure of the lithium atom in a strong magnetic field 0 <= gamma <= 10 is investigated. Our computational approach is a full configuration interaction method based on a set of anisotropic Gaussian orbitals that is nonlinearly optimized for each field strength. Accurate results for the total energies and one-electron ionization energies for the ground and several excited states for each of the symmetries ^20^+, ^2(-1)^+, ^4(-1)^+, ^4(-1)^-, ^2(-2)^+, ^4(-2)^+, $^4(-3)^{+}$ are presented. The behaviour of these energies as a function of the field strength is discussed and classified. Transition wave lengths for linear and circular polarized transitions are presented as well.Comment: 12 pages, 13 figures, accepted for publication in Phys. Rev.

Diffusion Monte Carlo calculations for the ground states of atoms and ions in neutron star magnetic fields

The diffusion quantum Monte Carlo method is extended to solve the old theoretical physics problem of many-electron atoms and ions in intense magnetic fields. The feature of our approach is the use of adiabatic approximation wave functions augmented by a Jastrow factor as guiding functions to initialize the quantum Monte Carlo prodecure. We calcula te the ground state energies of atoms and ions with nuclear charges from Z= 2, 3, 4, ..., 26 for magnetic field strengths relevant for neutron stars.Comment: 6 pages, 1 figure, proceedings of the "9th International Conference on Path Integrals - New Trends and Perspectives", Max-Planck-Institut fur Physik komplexer Systeme, Dresden, Germany, September 23 - 28, 2007, to be published as a book by World Scientific, Singapore (2008

Using structure-based organic chemistry online tutorials with automated correction for student practice and review

This article describes the development and implementation of an open-access organic chemistry question bank for online tutorials and assessments at University College Cork and Dublin Institute of Technology. SOCOT (structure-based organic chemistry online tutorials) may be used to supplement traditional small-group tutorials, thereby allowing students to develop essential problem-solving skills in organic chemistry. This online approach may be used for both formative and summative assessment. Students complete one problem set weekly or fortnightly, which consists of a number of questions of varying difficulty. A wide range of question types is possible; for example, prediction of reaction products, identification of reaction intermediates or reagents, and retrosynthetic analyses. Questions involving stereochemistry may be also be incorporated. The implementation is described, along with several sample questions and advice for creating questions. This approach is suitable for all levels of undergraduates, from introductory nonmajors to final-year chemistry students. Student feedback was overwhelmingly positive, and in particular, students found SOCOT to be a quite useful tool for review purposes. Our approach uses MarvinSketch, which is free for academic purposes, and the SMILES algorithm, which converts chemical structures into a text string and is compatible with any learning management system

The helium atom in a strong magnetic field

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 two-particle basis composed of one-particle states of a Gaussian basis set. The corresponding generalized eigenvalue problem is solved numerically, providing in the present paper results for vanish ing magnetic quantum number M=0 and even or odd z-parity, each for both singlet and triplet spin symmetry. Total electronic energies of the ground state and the first few excitations in each su bspace as well as their one-electron ionization energies are presented as a function of the magnetic fie ld, and their behaviour is discussed. Energy values for electromagnetic transitions within the M=0 sub space are shown, and a complete table of wavelengths at all the detected stationary points with respect to their field dependence is given, thereby providing a basis for a comparison with observed ab sorption spectra of magnetic white dwarfs.Comment: 21 pages, 4 Figures, acc.f.publ.in J.Phys.

Hydrogen and Helium Atoms and Molecules in an Intense Magnetic Field

We calculate the atomic structure of hydrogen and helium, atoms and molecules in an intense magnetic field, analytically and numerically with a judiciously chosen basis.Comment: 16 pages, 5 figures, to appear in Phys. Rev.

H^+_2$ in a strong magnetic field described via a solvable model

We consider the hydrogen molecular ion $H^+_2$ in the presence of a strong homogeneous magnetic field. In this regime, the effective Hamiltonian is almost one dimensional with a potential energy which looks like a sum of two Dirac delta functions. This model is solvable, but not close enough to our exact Hamiltonian for relevant strenght of the magnnetic field. However we show that the correct values of the equilibrium distance as well as the binding energy of the ground state of the ion, can be obtained when incorporating perturbative corrections up to second order. Finally, we show that $He_2^{3+}$ exists for sufficiently large magnetic fields

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.

Ion Collisions in Very Strong Electric Fields

A Classical Trajectory Monte Carlo (CTMC) simulation has been made of processes of charge exchange and ionization between an hydrogen atom and fully stripped ions embedded in very strong static electric fields ($O(10^{10}$ V/m$)$), which are thought to exist in cosmic and laser--produced plasmas. Calculations show that the presence of the field affects absolute values of the cross sections, enhancing ionization and reducing charge exchange. Moreover, the overall effect depends upon the relative orientation between the field and the nuclear motion. Other features of a null-field situation, such as scaling laws, are revisited.Comment: Latex, 13 pages, 11 figures (available upon request), to be published in Journal of Physics

Complex and unexpected dynamics in simple genetic regulatory networks

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