Details

Autor(en) / Beteiligte

• Dutta, Rishab
• Gao, Fei
• Khamoshi, Armin
• Henderson, Thomas M.
• Scuseria, Gustavo E.

Titel

Correlated pair ansatz with a binary tree structure

Ist Teil von

• The Journal of chemical physics, 2024-02, Vol.160 (8)

Ort / Verlag

United States: American Institute of Physics

Erscheinungsjahr

2024

Link zum Volltext

Quelle

AIP Journals

Beschreibungen/Notizen

• We develop an efficient algorithm to implement the recently introduced binary tree state (BTS) ansatz on a classical computer. BTS allows a simple approximation to permanents arising from the computationally intractable antisymmetric product of interacting geminals and respects size-consistency. We show how to compute BTS overlap and reduced density matrices efficiently. We also explore two routes for developing correlated BTS approaches: Jastrow coupled cluster on BTS and linear combinations of BT states. The resulting methods show great promise in benchmark applications to the reduced Bardeen–Cooper–Schrieffer Hamiltonian and the one-dimensional XXZ Heisenberg Hamiltonian.