A New ab-Initio Approach for NMR Chemical Shifts in Periodic Systems

By D. Sebastiani, Michele Parrinello. 2001

171 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/440580bbca17dcba0dee3e655a7c3a0ec4244faa

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

1. Ivo Souza
2. Nicola Marzari
3. D. Vanderbilt
4. Arash A. Mostofi
5. Jonathan R. Yates
6. R. Berger
7. Heike Fliegl
8. Dage Sundholm

In Spectroscopy

1. D. Vanderbilt
2. Jonathan R. Yates

Citations in the corpus

• Calculations of magnetically induced current densities: theory and applications (2016, background): “The position operator is then chosen to be linear in each cell leading to a saw-tooth shape of the position operator.(70)”
• Maximally-localized Wannier Functions: Theory and Applications (2011, methodology): “An alternative perturbative approach used a WF representation of the electronic structure together with a periodic position operator (Sebastiani, 2003; Sebastiani et al., 2002; Sebastiani and Parrinello, 2001).”