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Calculation of Coulomb interaction matrix elements in the basis of a two-dimensional harmonic oscillator (HO2D).
Download and unpack the latest release, then run:
make PREFIX=/usr/local install
Replace /usr/local
with wherever you want it to be installed.
The code calculates the spatial part of the Coulomb interaction matrix element:
Here, φ[n, ml]
denotes the eigenfunction of a two-dimensional harmonic
oscillator with principal quantum number n
and angular momentum projection
ml
. In polar coordinates, these functions may be defined in terms of the
associated Laguerre polynomials L
:
The library is designed to be extensible: calculation of the the matrix
elements is fulfilled via a tabulation provider, a specialized executable
that understands a certain file format and protocol. For details, see
protocol.h
and clh2-am.c
.
The library has a default provider called clh2-am
that is installed with the
package. This provider use the analytic formula in
Anisimovas & Matulis (1998), which yields a relatively simple
implementation with no external dependencies. However, it can be quite slow
and may be inaccurate for higher shells. You can substitute another provider
easily by setting the provider
argument when calling clh2_request
.
If you'd like, you can install a different provider: clh2-openfci, which can be much faster and more accurate than the default provider.