Construction of linearly independent non-orthogonal AGP states
Chemical Physics
2021-03-24 v2 Strongly Correlated Electrons
Abstract
We show how to construct a linearly independent set of antisymmetrized geminal power (AGP) states, which allows us to rewrite our recently introduced geminal replacement models as linear combinations of non-orthogonal AGPs. This greatly simplifies the evaluation of matrix elements and permits us to introduce an AGP-based selective configuration interaction method, which can reach arbitrary excitation levels relative to a reference AGP, balancing accuracy and cost as we see fit.
Keywords
Cite
@article{arxiv.2101.08911,
title = {Construction of linearly independent non-orthogonal AGP states},
author = {Rishab Dutta and Guo P. Chen and Thomas M. Henderson and Gustavo E. Scuseria},
journal= {arXiv preprint arXiv:2101.08911},
year = {2021}
}
Comments
13 pages, 8 figures, 1 table, 3 appendices