Ground States of Heisenberg Spin Clusters from a Cluster-Based Projected Hartree–Fock Approach

Recent work on approximating ground states of Heisenberg spin clusters by projected Hartree–Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF variationally optimizes a site–spin product state for the restoration of spin- and point-group symmetry, cPHF groups sites into disc...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй

Үндсэн зохиолчид:	Shadan Ghassemi Tabrizi, Carlos A. Jiménez-Hoyos
Формат:	Artigo
Хэл сонгох:	Inglês
Хэвлэсэн:	MDPI AG 2023-02-01
Цуврал:	Condensed Matter
Нөхцлүүд:	molecular magnetism spin hamiltonians quantum-chemical methods symmetry-projection
Онлайн хандалт:	https://www.mdpi.com/2410-3896/8/1/18
Шошгууд:	Шошго нэмэх Шошго байхгүй, Энэхүү баримтыг шошголох эхний хүн болох!