| DPM |
Abbreviation for Distributed Positron Model. In this model, for the
purpose of mimicking nonadiabatic and short-range correlation effects, the
positron is treated as a non-point distribution of charge within the quantum
chemistry code that calculates the polarization potential. The DPM affects
only the polarization potential and is not used to describe
the positron in the quantum scattering calculations. |
| US |
Abbreviation for Uniform Spherical. This indicates a uniform, spherical
distribution of charge for the positron. The radius of the distribution (in
Bohr) is indicated by the value of Rp. So, for example, DPM
US(Rp=1.5) or just US(1.5) indicates that in the quantum
chemistry code the positron is treated as a uniform spherical charge
distribution (+1) of radius 1.5 Bohr at the "fixed" location of the
positron. |
| STO-3G |
A new variant of the Uniform Spherical distribution based on a 3
Gaussian contraction of the STO for H1s. This new scheme
closely approximates the US(1.5) result, but allows all of the DPM
integrals to be performed analytically. For standard, sequential
computers, the STO-3G variant is about one million times faster for
the calculation of the modified nuclear attraction integrals. |
| H1s |
This indicates a uniform, nonspherical distribution of charge in the DPM
where the +1 charge of the positron is distributed according to the probability
density of the electron in the ground state of the hydrogen atom. |
| BF |
This indicates a nonuniform, nonspherical distribution of charge in the
DPM where the +1 charge of the positron is represented by a linear
combination of Gaussian basis functions. The particular linear combination
at a given positron location is determined by perturbing a Positronium atom
with a fractional charge that represents the "unscreened" nuclear charge of
the target. |
| Gamera |
Gamera is our new 32-node Beowulf cluster constructed from 32
1-GHz commodity-off-the-shelf machines. Gamera has 16 GB of
ram and 640 GB of disk storage. |
| DCS |
Abbreviation for Differential Cross Section. |
| ICS |
Abbreviation for Integrated Cross Section. |
| Lmax |
The maximum angular momentum value used in the single-center expansion
of the scattering function. |
| Lambda max |
The largest term retained in the single-center expansion of the
interaction potential. |
| BC |
Abbreviation for Born-Closure. |
| Rp |
The radius of the uniform spherical charge distribution in Bohr. |
| rp or C |
The location of the positron (in Bohr) with respect to the origin of
coordinates. |
| rc |
The distance (in Bohr) from the location of the positron at rp to
an electron located at re. |
| re |
The location of an electron with respect to the origin of
coordinates. |
| COAD |
Abbreviation for CutOff Adiabatic polarization potential. The cutoff
function is "tuned" to experimental results. |
| POM |
Abbreviation for Polarized Orbital Method. This method is another
approximate scheme for computing a nonadiabatic polarization
potential. |
| EMP |
Abbreviation for Empirically determined model polarization
potential. |