Koopmans-Compliant Spectral Functionals for Extended Systems-Reference-Cited by-同舟云学术

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Koopmans-Compliant Spectral Functionals for Extended Systems

Published:2018-05-23 Issue:2 Volume:8 Page:
ISSN:2160-3308
Container-title:Physical Review X
language:en
Short-container-title:Phys. Rev. X

Author:

Nguyen Ngoc Linh,Colonna Nicola,Ferretti Andrea,Marzari Nicola

Funder

National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

EU Centre of Excellence

Publisher

American Physical Society (APS)

Subject

General Physics and Astronomy

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevX.8.021051/fulltext

Reference86 articles.

1. Modelling heterogeneous interfaces for solar water splitting

2. Electronic excitations: density-functional versus many-body Green’s-function approaches

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

4. Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids

5. Quantum Monte Carlo simulations of solids

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1. Training Machine-Learned Density Functionals on Band Gaps;Journal of Chemical Theory and Computation;2024-08-23

2. Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular Chains;Journal of Chemical Theory and Computation;2024-08-13

3. Green's function embedding using sum-over-pole representations;Physical Review B;2024-07-29

4. Spin-dependent interactions in orbital-density-dependent functionals: Noncollinear Koopmans spectral functionals;Physical Review Research;2024-07-18

5. Orbital-Resolved DFT+U for Molecules and Solids;Journal of Chemical Theory and Computation;2024-05-31

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