799 research outputs found
Rights in a Cloud of Dust: The Value and Qualities of Farm Data and How Its Property Rights Should Be Viewed Moving Forward
Historically, technology growth has been slower in agriculture than other industries. However, a rising demand for food and an increase in efficient farm practices has changed this, leading to a rise in precision farming technologies. Now, entities that provide services or information to farmers need precision farming technologies to compete, and more farmers are adopting precision farming technologies. These technologies help farmers, but questions still remain about ownership rights in the data that farmers create
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior
We investigate the properties of norm-conserving pseudopotentials (effective
core potentials) generated by inversion of the Hartree-Fock equations. In
particular we investigate the asymptotic behaviour as
and find that such pseudopotentials are non-local over all space, apart from a
few special special cases such H and He. Such extreme non-locality leads to a
lack of transferability and, within periodic boundary conditions, an undefined
total energy. The extreme non-locality must therefore be removed, and we argue
that the best way to accomplish this is a minor relaxation of the
norm-conservation condition. This is implemented, and pseudopotentials for the
atoms HAr are constructed and tested.Comment: 13 pages, 4 figure
Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg
We report smooth relativistic Hartree-Fock pseudopotentials (also known as
averaged relativistic effective potentials or AREPs) and spin-orbit operators
for the atoms H to Ba and Lu to Hg. We remove the unphysical extremely
non-local behaviour resulting from the exchange interaction in a controlled
manner, and represent the resulting pseudopotentials in an analytic form
suitable for use within standard quantum chemistry codes. These
pseudopotentials are suitable for use within Hartree-Fock and correlated wave
function methods, including diffusion quantum Monte Carlo calculations.Comment: 13 pages, 3 figure
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