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.
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