2,203 research outputs found
AS-206 S-4B restart alternate mission L/V operational flight trajectory, part 3
Saturn S-4B restart alternate mission launch vehicle operational flight trajectory - AS-206 vehicle systems integratio
Static dielectric response of icosahedral fullerenes from C60 to C2160 by an all electron density functional theory
The static dielectric response of C60, C180, C240, C540, C720, C960, C1500,
and C2160 fullerenes is characterized by an all-electron density-functional
method. First, the screened polarizabilities of C60, C180, C240, and C540, are
determined by the finite-field method using Gaussian basis set containing 35
basis functions per atom. In the second set of calculations, the unscreened
polarizabilities are calculated for fullerenes C60 through C2160 from the
self-consistent Kohn-Sham orbitals and eigen-values using the sum-over-states
method. The approximate screened polarizabilities, obtained by applying a
correction determined within linear response theory show excellent agreement
with the finite-field polarizabilities. The static dipole polarizability per
atom in C2160 is (4 Angstrom^3) three times larger than that in C60 (1.344
Angstrom^3). Our results reduce the uncertainty in various theoretical models
used previously to describe the dielectric response of fullerenes and show that
quantum size effects in polarizability are significantly smaller than
previously thought.Comment: RevTex, 3 figure
Future Seniors and the Travel Industry
Persons over the age of 55 will soon comprise the majority of the travel industry. The impact of market size and potential is staggering. The author discusses the future senior travel market and provides recommendations for attracting and servicing this group
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
Future Seniors: Is the Hospitality Industry Ready for Them?
Persons age 55 and over will become the biggest market for hospitality throughout the next 30 years. This future senior market will not have the same needs and characteristics of current seniors. The author discusses the similarities and differences of the current and future senior markets and offers recommendations for meeting the needs of the future senior market
The Danish large wind turbine program
A brief description of the Danish wind energy program and its present status is given. Results and experiences from tests on the Gedser windmill (200 kW) are presented. The key results are presented from the preliminary design study and detailed design of two new WECS (630 kW each) is described
First-principle density-functional calculation of the Raman spectra of BEDT-TTF
We present a first-principles density-functional calculation for the Raman
spectra of a neutral BEDT-TTF molecule. Our results are in excellent agreement
with experimental results. We show that a planar structure is not a stable
state of a neutral BEDT-TTF molecule. We consider three possible conformations
and discuss their relation to disorder in these systems.Comment: 3 pages, 2 figures, submitted to the proceedings of ISCOM 200
- …