Performance of Bootstrap Embedding for long-range interactions and 2D systems
Fragment embedding approaches offer the possibility of accurate description of strongly correlated systems with low-scaling computational expense. In particular, wave function embedding approaches have demonstrated the ability to subdivide systems across highly entangled regions, promising wide appl...
Main Authors: | Ricke, Nathan Darrell (Contributor), Welborn, Matthew Gregory (Contributor), Ye, Hongzhou (Contributor), Van Voorhis, Troy (Contributor) |
---|---|
Other Authors: | Massachusetts Institute of Technology. Department of Chemistry (Contributor), Voorhis, Troy Van (Contributor) |
Format: | Article |
Language: | English |
Published: |
Taylor & Francis,
2018-04-30T17:01:51Z.
|
Subjects: | |
Online Access: | Get fulltext |
Similar Items
-
Bootstrap Embedding for Molecules
by: Ye, Hongzhou, et al.
Published: (2019) -
Atom-Based Bootstrap Embedding For Molecules
by: Ye, Hongzhou, et al.
Published: (2020) -
σ-SCF: A direct energy-targeting method to mean-field excited states
by: Ye, Hongzhou, et al.
Published: (2018) -
Incremental embedding: A density matrix embedding scheme for molecules
by: Ye, Hong-Zhou, et al.
Published: (2022) -
Incremental embedding: A density matrix embedding scheme for molecules
by: Ye, Hong-Zhou, et al.
Published: (2022)