OpenFCI Documentation

0.6

Copyright Notice

Copyright (c) 2008-2009 Simen Kvaal

OpenFCI is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

OpenFCI is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with OpenFCI. If not, see <http://www.gnu.org/licenses/>.

Introduction

OpenFCI is a library and program for doing full configuration interaction (FCI) calculations on quantum dots and similar systems. These are the Doxygen-generated documentation pages for OpenFCI. This page is at the moment rather rudimentary, but will be extended continually. The other pages contain a lot more information.

For a general introduction to quantum dots, the FCI method, and OpenFCI, see http://arxiv.org/abs/0810.2644

The main program is qdot, see qdot.cc.

For small demonstration programs, see pairing.cc, tabulate.cc, radial.cc, and slater_demo.cc.

The code is organized in several namespaces:

• manybody : Deals with generic manybody techniques, such as Slater determinants and configurational state functions (CSFs).
• gauss : Tools for Gaussian quadrature and orthogonal polynomials
• quantumdot : Sews together concepts from the above namespaces into a quantum dot solver for parabolic quantum dots.
• simple_sparse : Simple implementation of sparse matrices
• simple_dense : Simple implementation of dense matrices

---