5,806 research outputs found
The effect of a year of high-school biology on achievement in first-semester college biology
Thesis (Ed.M.)--Boston University, 1947. This item was digitized by the Internet Archive
Quasi-exact-solution of the Generalized Exe Jahn-Teller Hamiltonian
We consider the solution of a generalized Exe Jahn-Teller Hamiltonian in the
context of quasi-exactly solvable spectral problems. This Hamiltonian is
expressed in terms of the generators of the osp(2,2) Lie algebra. Analytical
expressions are obtained for eigenstates and eigenvalues. The solutions lead to
a number of earlier results discussed in the literature. However, our approach
renders a new understanding of ``exact isolated'' solutions
Radial inflow turbine meshing rev. 1
This report describes meshing utilities to support the mesh generation for Radial Inflow Turbines. This includes two tools: (a) parameterised mesh generator for Nozzle Guide Vanes; (b) a geometry and mesh generation tool for turbine rotors. A key feature of the turbine rotor mesh and geometry generation tool is that it allows a parametric definition of the geometry based on properties of the aerodynamic passage. For example desired flow direction and evolution of flow area. This is in contrast to alternative methods, which start by defining the physical features of the rotor (e.g. hub and shroud shape), in which case the aerodynamic passage becomes and output. In addition to providing the description of the two tools, usage instructions and examples are provided
Symmetry breaking in the self-consistent Kohn-Sham equations
The Kohn-Sham (KS) equations determine, in a self-consistent way, the
particle density of an interacting fermion system at thermal equilibrium. We
consider a situation when the KS equations are known to have a unique solution
at high temperatures and this solution is a uniform particle density. We show
that, at zero temperature, there are stable solutions that are not uniform. We
provide the general principles behind this phenomenon, namely the conditions
when it can be observed and how to construct these non-uniform solutions. Two
concrete examples are provided, including fermions on the sphere which are
shown to crystallize in a structure that resembles the C molecule.Comment: a few typos eliminate
Jahn-Teller instability in C6H6+ and C6H6- revisited
The benzene cation (C6H6+) has a doublet (e_{1g}) ground state in hexagonal
ring (D_{6h}) geometry. Therefore a Jahn-Teller (JT) distortion will lower the
energy. The present theoretical study yields a model Huckel-type Hamiltonian
that includes the JT coupling of the e_{1g} electronic ground state with the
two e_{2g} vibrational modes: in-plane ring-bending and C-C bond-stretching. We
obtain the JT couplings from density functional theory (DFT), which gives a JT
energy lowering of 970 cm^{-1} in agreement with previous quantum chemistry
calculations. We find a non-adiabatic solution for vibrational spectra and
predict frequencies shifts of both the benzene cation and anion, and give a
reinterpretation of the available experimental data.Comment: 6 pages, 3 figure
- …