Robust Periodic Hartree-Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets.
By M. Guidon, Juerg Hutter, Joost VandeVondele. Journal of Chemical Theory and Computation, 2009
313 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/b926c5d031cec46ec6ab03b7c90a961784a35a47
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Atomic and Molecular Physics, and Optics
- Marcella Iannuzzi
- F. Schiffmann
- Michele Ceriotti
- Juerg Hutter
- David E. Manolopoulos
- Joshua More
- Joost VandeVondele
In Spectroscopy
- Michele Ceriotti
- Joshua More
- David E. Manolopoulos
- Juerg Hutter
- Marcella Iannuzzi
- Joost VandeVondele
- F. Schiffmann
Citations in the corpus
- i-PI: A Python interface for ab initio path integral molecular dynamics simulations (2014, methodology): “We included D3 empirical Van der Waals corrections [46, 47, 48], which are essential to obtain a reasonable description of water at constant pressure.”
- cp2k: atomistic simulations of condensed matter systems (2014, background): “Hybrid functionals for periodic systems are accessible for all type of simulations [16, 50].”