Highly Accurate Molecular Properties using variational Quantum Electrodynamics

Project Information

HAMP-vQED

Grant agreement ID: 101019907

DOI

10.3030/101019907

EC signature date 3 May 2021

Start date 1 October 2021

End date 30 September 2026

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 929 658,00

EU contribution

€ 1 929 658,00

Coordinated by

CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
France

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (5)

Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple

Author(s): Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, Trond Saue
Published in: The Journal of Chemical Physics, Issue 157, 2022, Page(s) 114106, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0095112

4-component relativistic Hamiltonian with effective QED potentials for molecular calculations

Author(s): Ayaki Sunaga, Maen Salman, Trond Saue
Published in: The Journal of Chemical Physics, Issue 157, 2022, Page(s) 164101, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0116140

Gaussian-basis-set approach to one-loop self-energy

Author(s): Dávid Ferenc, Maen Salman, Trond Saue
Published in: Physical Review A, Issue 111, 2025, ISSN 2469-9926
Publisher: American Physical Society (APS)
DOI: 10.1103/physreva.111.l040802

Beyond the Dailey–Townes Model: Chemical Information from the Electric Field Gradient

Author(s): Gabriele Fabbro, Johann Pototschnig, Trond Saue
Published in: The Journal of Physical Chemistry A, 2025, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.4c06884

Calculating the many-potential vacuum polarization density of the Dirac equation in the finite-basis approximation

Author(s): Salman, Maen; Saue, Trond
Published in: Physical Review A, Issue 108 (1), 2023, Page(s) 012808, ISSN 1094-1622
Publisher: American Physical Society
DOI: 10.1103/physreva.108.012808