53 research outputs found
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Insights on the local density approximation plasma polarization shift as provided by the optimum potential method
The plasma polarization shift computed with a Local Density Functional model of an ion-sphere model is compared with results calculated using an optimum central field effective exchange potential. Indications are that the bulk of the shift is an artifact of the approximate exchange functional describing the interaction between bound and continuum orbitals in the LDA
Crystal Structures and Electronic Properties of Haloform-Intercalated C60
Using density functional methods we calculated structural and electronic
properties of bulk chloroform and bromoform intercalated C60, C60 2CHX3
(X=Cl,Br). Both compounds are narrow band insulator materials with a gap
between valence and conduction bands larger than 1 eV. The calculated widths of
the valence and conduction bands are 0.4-0.6 eV and 0.3-0.4 eV, respectively.
The orbitals of the haloform molecules overlap with the orbitals of the
fullerene molecules and the p-type orbitals of halogen atoms significantly
contribute to the valence and conduction bands of C60 2CHX3. Charging with
electrons and holes turns the systems to metals. Contrary to expectation, 10 to
20 % of the charge is on the haloform molecules and is thus not completely
localized on the fullerene molecules. Calculations on different crystal
structures of C60 2CHCl3 and C60 2CHBr3 revealed that the density of states at
the Fermi energy are sensitive to the orientation of the haloform and C60
molecules. At a charging of three holes, which corresponds to the
superconducting phase of pure C60 and C60 2CHX3, the calculated density of
states (DOS) at the Fermi energy increases in the sequence DOS(C60) < DOS(C60
2CHCl3) < DOS(C60 2CHBr3).Comment: 11 pages, 7 figures, 4 table
BB Intermeson Potentials in the Quark Model
In this paper we derive quark model results for scattering amplitudes and
equivalent low energy potentials for heavy meson pairs, in which each meson
contains a heavy quark. This "BB" system is an attractive theoretical
laboratory for the study of the nuclear force between color singlets; the
hadronic system is relatively simple, and there are lattice gauge theory (LGT)
results for V_BB(r) which may be compared to phenomenological models. We find
that the quark model potential (after lattice smearing) has qualitative
similarities to the LGT potential in the two B*B* channels in which direct
comparison is possible, although there is evidence of a difference in length
scales. The quark model prediction of equal magnitude but opposite sign for I=0
and I=1 potentials also appears similar to LGT results at intermediate r. There
may however be a discrepancy between the LGT and quark model I=1 BB potentials.
A numerical study of the two-meson Schrodinger equations in the (bqbar)(bqbar)
and (cqbar)(cqbar) sectors with the quark model potentials finds a single
"molecule", in the I=0 BB* sector. Binding in other channels might occur if the
quark model forces are augmented by pion exchange.Comment: 30 pages, 5 figures, revtex and epsfig. Submitted to Phys. Rev.
I=3/2 Scattering in the Nonrelativisitic Quark Potential Model
We study elastic scattering to Born order using
nonrelativistic quark wavefunctions in a constituent-exchange model. This
channel is ideal for the study of nonresonant meson-meson scattering amplitudes
since s-channel resonances do not contribute significantly. Standard quark
model parameters yield good agreement with the measured S- and P-wave phase
shifts and with PCAC calculations of the scattering length. The P-wave phase
shift is especially interesting because it is nonzero solely due to
symmetry breaking effects, and is found to be in good agreement with experiment
given conventional values for the strange and nonstrange constituent quark
masses.Comment: 12 pages + 2 postscript figures, Revtex, MIT-CTP-210
Kaon-Nucleon Scattering Amplitudes and Z-Enhancements from Quark Born Diagrams
We derive closed form kaon-nucleon scattering amplitudes using the ``quark
Born diagram" formalism, which describes the scattering as a single interaction
(here the OGE spin-spin term) followed by quark line rearrangement. The low
energy I=0 and I=1 S-wave KN phase shifts are in reasonably good agreement with
experiment given conventional quark model parameters. For Gev
however the I=1 elastic phase shift is larger than predicted by Gaussian
wavefunctions, and we suggest possible reasons for this discrepancy. Equivalent
low energy KN potentials for S-wave scattering are also derived. Finally we
consider OGE forces in the related channels K, KN and K,
and determine which have attractive interactions and might therefore exhibit
strong threshold enhancements or ``Z-molecule" meson-baryon bound states.
We find that the minimum-spin, minimum-isospin channels and two additional
K channels are most conducive to the formation of bound states.
Related interesting topics for future experimental and theoretical studies of
KN interactions are also discussed.Comment: 34 pages, figures available from the authors, revte
NN Core Interactions and Differential Cross Sections from One Gluon Exchange
We derive nonstrange baryon-baryon scattering amplitudes in the
nonrelativistic quark model using the ``quark Born diagram" formalism. This
approach describes the scattering as a single interaction, here the
one-gluon-exchange (OGE) spin-spin term followed by constituent interchange,
with external nonrelativistic baryon wavefunctions attached to the scattering
diagrams to incorporate higher-twist wavefunction effects. The short-range
repulsive core in the NN interaction has previously been attributed to this
spin-spin interaction in the literature; we find that these perturbative
constituent-interchange diagrams do indeed predict repulsive interactions in
all I,S channels of the nucleon-nucleon system, and we compare our results for
the equivalent short-range potentials to the core potentials found by other
authors using nonperturbative methods. We also apply our perturbative
techniques to the N and systems: Some
channels are found to have attractive core potentials and may accommodate
``molecular" bound states near threshold. Finally we use our Born formalism to
calculate the NN differential cross section, which we compare with experimental
results for unpolarised proton-proton elastic scattering. We find that several
familiar features of the experimental differential cross section are reproduced
by our Born-order result.Comment: 27 pages, figures available from the authors, revtex, CEBAF-TH-93-04,
MIT-CTP-2187, ORNL-CCIP-93-0
Self-consistent modelling of hot plasmas within non-extensive Tsallis' thermostatistics
A study of the effects of non-extensivity on the modelling of atomic physics
in hot dense plasmas is proposed within Tsallis' statistics. The electronic
structure of the plasma is calculated through an average-atom model based on
the minimization of the non-extensive free energy.Comment: submitted to "Eur. Phys. J. D
Making things happen : a model of proactive motivation
Being proactive is about making things happen, anticipating and preventing problems, and seizing opportunities. It involves self-initiated efforts to bring about change in the work environment and/or oneself to achieve a different future. The authors develop existing perspectives on this topic by identifying proactivity as a goal-driven process involving both the setting of a proactive goal (proactive goal generation) and striving to achieve that proactive goal (proactive goal striving). The authors identify a range of proactive goals that individuals can pursue in organizations. These vary on two dimensions: the future they aim to bring about (achieving a better personal fit within one’s work environment, improving the organization’s internal functioning, or enhancing the organization’s strategic fit with its environment) and whether the self or situation is being changed. The authors then identify “can do,” “reason to,” and “energized to” motivational states that prompt proactive goal generation and sustain goal striving. Can do motivation arises from perceptions of self-efficacy, control, and (low) cost. Reason to motivation relates to why someone is proactive, including reasons flowing from intrinsic, integrated, and identified motivation. Energized to motivation refers to activated positive affective states that prompt proactive goal processes. The authors suggest more distal antecedents, including individual differences (e.g., personality, values, knowledge and ability) as well as contextual variations in leadership, work design, and interpersonal climate, that influence the proactive motivational states and thereby boost or inhibit proactive goal processes. Finally, the authors summarize priorities for future researc
Enhanced generation of VUV radiation by four-wave mixing in mercury using pulsed laser vaporization
The efficiency of a coherent VUV source at 125 nm, based on 2-photon resonant
four-wave mixing in mercury vapor, has been enhanced by up to 2 orders of
magnitude. This enhancement was obtained by locally heating a liquid Hg surface
with a pulsed excimer laser, resulting in a high density vapor plume in which
the nonlinear interaction occurred. Energies up to 5 μJ (1 kW peak power)
have been achieved while keeping the overall Hg cell at room temperature,
avoiding the use of a complex heat pipe. We have observed a strong saturation
of the VUV yield when peak power densities of the fundamental beams exceed the
GW/cm2 range, as well as a large intensity-dependant broadening (up to ~30
cm-1) of the two-photon resonance. The source has potential applications for
high resolution interference lithography and photochemistry
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What is wrong with the Cromer-Liberman anomalous scattering factors and what to do about them
Some sources of error in the original equation are discussed and possible corrections are suggested. (GHT
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