QUROPE Quantum Information Processing and Communication in Europe

We employ ab initio methods of quantum chemistry to investigate spin-1/2 fermions interacting via a two-body contact potential in a one-dimensional harmonic trap. The convergence of the total energy with the size of the one-particle basis set is analytically investigated for the two-body problem and the same form of the convergence formula is numerically confirmed to be valid for the many-body case. Benchmark calculations for two to six fermions with the full configuration interaction method equivalent to the exact diagonalization approach, and the coupled cluster (CC) method including single, double, triple, and quadruple excitations are presented. The convergence of the correlation energy with the level of excitations included in the CC model is analyzed. The range of the interaction strength for which single-reference CC methods work is examined. Next, the CC method restricted to single, double, and noniterative triple excitations, CCSD(T), is employed to study a two-component Fermi gas composed of 6–80 atoms in a one-dimensional harmonic trap. The density profiles of trapped atomic clouds are also reported. Finally, a comparison with experimental results for few-fermion systems is presented. Upcoming possible applications and extensions of the presented approach are discussed.