Lowest excited configuration of harmonium
Abstract
The harmonium model has long been regarded as an exactly solvable laboratory bench for quantum chemistry [W. Heisenberg, Z. Phys.ZEPYAA0044-332810.1007/BF01397160 38, 411 (1926)]. For studying correlation energy, only the ground state of the system has received consideration heretofore. This is a spin singlet state. In this work we exhaustively study the lowest excited (spin triplet) harmonium state, with the main purpose of revisiting the relation between entanglement measures and correlation energy for this quite different species. The task is made easier by working with Wigner quasiprobabilities on phase space.
- Publication:
-
Physical Review A
- Pub Date:
- August 2012
- DOI:
- 10.1103/PhysRevA.86.022525
- arXiv:
- arXiv:1205.2038
- Bibcode:
- 2012PhRvA..86b2525B
- Keywords:
-
- 31.15.vj;
- 03.65.Sq;
- 31.15.ec;
- Electron correlation calculations for atoms and ions: excited states;
- Semiclassical theories and applications;
- Hohenberg-Kohn theorem and formal mathematical properties completeness theorems;
- Physics - Chemical Physics;
- Mathematical Physics;
- Physics - Atomic and Molecular Clusters;
- Quantum Physics
- E-Print:
- Latex, 21 pages. Minor changes, 4 improved figures, references added. To appear in Physical Review A