English

Correlated pair ansatz with a binary tree structure

Chemical Physics 2024-03-01 v2 Strongly Correlated Electrons

Abstract

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.

Keywords

Cite

@article{arxiv.2310.20076,
  title  = {Correlated pair ansatz with a binary tree structure},
  author = {Rishab Dutta and Fei Gao and Armin Khamoshi and Thomas M. Henderson and Gustavo E. Scuseria},
  journal= {arXiv preprint arXiv:2310.20076},
  year   = {2024}
}

Comments

14 pages, 10 figures, revised

R2 v1 2026-06-28T13:06:47.736Z