Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory-Reference-Cited by-同舟云学术

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Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory

Published:2024-04-23 Issue:17 Volume:128 Page:3408-3418
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhang Tianyuan¹,Banerjee Samragni¹,Koulias Lauren N.¹,Valeev Edward F.²^ORCID,DePrince A. Eugene³^ORCID,Li Xiaosong¹^ORCID

Affiliation:

1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States

2. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States

3. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, United States

Funder

Office of Advanced Cyberinfrastructure

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c08167

Reference112 articles.

1. A direct product decomposition approach for symmetry exploitation in many‐body methods. I. Energy calculations

2. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

3. Coupled‐cluster calculations of nuclear magnetic resonance chemical shifts

4. An Introduction to Coupled Cluster Theory for Computational Chemists

5. Calculation of properties with the coupled-cluster method

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. Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units;Journal of Chemical Theory and Computation;2024-09-03

2. Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections;The Journal of Physical Chemistry A;2024-07-29

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