The Journal of Chemical Physics· 2013Q1
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
- 1,919citations
- Q1SCImago
- 2013year
Short summary
A new method, DLPNO-CCSD(T), accurately includes triple excitations in coupled cluster calculations with near-linear scaling computational cost, enabling CCSD(T) calculations on large molecules like proteins.
AI-generated from the title and abstract; the full text is not read.
TakeawaysIn the app
Key pointsIn the app
Ask the paperIn the app
The rest is in the Pofolia app
Takeaways, key points and questions to the paper; new summaries every day for your field. Free.
Sign in on the web to openField: Atomic and Molecular Physics, and Optics
Atomic and Molecular Physics, and OpticsPhysics and Astronomy