Anthony Scemama
WIREs Computational Molecular Science · 2013–2020
A researcher in the Science corpus: 2 papers; trusts 0 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Whom Anthony Scemama trusts overall
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Papers from Anthony Scemama's perspective
Ordered by how strongly the researchers Anthony Scemama trusts endorse each paper. Same corpus, a different order for every researcher.
- Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3. (Journal of Chemical Physics)
- Molpro: a general‐purpose quantum chemistry program package
- Numerical Recipes in C: The Art of Scientific Computing
- Modern quantum chemistry
- Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
- Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
- Adiabatic time-dependent density functional methods for excited state properties
- N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
- Gaussian-3 (G3) theory for molecules containing first and second-row atoms
- CC2 excitation energy calculations on large molecules using the resolution of the identity approximation
Their papers
- QUESTDB: A database of highly accurate excitation energies for the electronic structure community (2020) — 153 citations
- Using perturbatively selected configuration interaction in quantum Monte Carlo calculations (2013) — 139 citations