Coupled Cluster Green's function formulations based on the effective Hamiltonians-Reference-Cited by-同舟云学术

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Coupled Cluster Green's function formulations based on the effective Hamiltonians

Published:2020-02-12 Issue:19-20 Volume:118 Page:e1725669
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Bauman Nicholas P.¹,Peng Bo²,Kowalski Karol¹

Affiliation:

1. William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, Richland, WA, USA

2. Advanced Computing, Mathematics, and Data Division, Battelle, Pacific Northwest National Laboratory, Richland, WA, USA

Funder

U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences

Quantum Algorithms, Software, and Architectures (QUASAR) Initiative at the Pacific Northwest National Laboratory

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2020.1725669

Reference70 articles.

1. New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem

2. One-body Green's function for atoms and molecules: theory and application

3. Beyond the random-phase approximation: A new approximation scheme for the polarization propagator

4. On the accuracy of ionization potentials calculated by Green’s functions

5. Molecular Electron Propagator Theory and Calculations

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1. Coupled-cluster downfolding techniques: A review of existing applications in classical and quantum computing for chemical systems;Polish Quantum Chemistry from Kołos to Now;2023

2. Coupled cluster downfolding methods: The effect of double commutator terms on the accuracy of ground-state energies;The Journal of Chemical Physics;2022-03-07

3. Dynamical Self-energy Mapping (DSEM) for Creation of Sparse Hamiltonians Suitable for Quantum Computing;Journal of Chemical Theory and Computation;2021-11-05

4. GFCCLib: Scalable and efficient coupled-cluster Green's function library for accurately tackling many-body electronic structure problems;Computer Physics Communications;2021-08

5. Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach;Journal of Chemical Theory and Computation;2020-09-11

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