Triple Excitations in Green’s Function Coupled Cluster Solver for Studies of Strongly Correlated Systems in the Framework of Self-Energy Embedding Theory-Reference-Cited by-同舟云学术

Triple Excitations in Green’s Function Coupled Cluster Solver for Studies of Strongly Correlated Systems in the Framework of Self-Energy Embedding Theory

Published:2023-03-01 Issue:9 Volume:14 Page:2416-2424
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Shee Avijit¹^ORCID,Yeh Chia-Nan²,Peng Bo³^ORCID,Kowalski Karol³^ORCID,Zgid Dominika⁴^ORCID

Affiliation:

1. Department of Chemistry, University of California, Berkeley, California 94720, United States

2. Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, United States

3. Pacific Northwest National Laboratory, Richland, Washington 99352, United States

4. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c03616

Reference52 articles.

1. Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitride

2. Dynamical mean-field theory from a quantum chemical perspective

3. Communication: Towards ab initio self-energy embedding theory in quantum chemistry

4. Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green’s Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical Accuracy

5. Generalized Self-Energy Embedding Theory

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