Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces-Reference-Cited by-同舟云学术

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Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces

Published:2022-11-13 Issue:12 Volume:18 Page:7321-7335
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chen Junhan¹^ORCID,Dou Wenjie²³^ORCID,Subotnik Joseph¹

Affiliation:

1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States

2. School of Science, Westlake University, Hangzhou, Zhejiang 310024, China

3. Institute of Natural Sciences, Westlake Institute for Advanced Study, Hangzhou, Zhejiang 310024, China

Funder

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00740

Reference46 articles.

1. Charge stiffness and long-range correlation in the optically induced η -pairing state of the one-dimensional Hubbard model

2. Universal scaling laws for correlation spreading in quantum systems with short- and long-range interactions

3. Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca2RuO4

4. Electronic structure, magnetism, and exchange integrals in transition-metal oxides: Role of the spin polarization of the functional in DFT+ U calculations

5. Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Forcing broken symmetry to recover static electronic correlation: the H ₂ molecule test case;Physics and Chemistry of Liquids;2024-03-03

2. Nonadiabatic Potential Energy Surfaces for a Molecule on a Surface as Found by Constrained Complete Active Space Theory;The Journal of Physical Chemistry Letters;2023-06-13

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