Skip to content

credits.md

Latest commit

 

History

History
32 lines (23 loc) · 1.21 KB

credits.md

File metadata and controls

32 lines (23 loc) · 1.21 KB

How to cite?

We kindly ask you to cite the underlying entry in your work using Pople.

Sambit Kumar Das, Salini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan (2021) "Pople: A toolkit for ab initio thermochemistry" https://moldis-group.github.io/pople/

Bibtex entry

@article{das2021pople,
  title={Pople: A toolkit for ab initio thermochemistry},
  author={Das, SK and Senthil, S and Chakraborty, S and Ramakrishnan, R},
  journal={URL https://moldis-group.github.io/pople/},
  year={2021}
}

Contributors

The program is developed by the following members of the Theory Lab at the Tata Institute of Fundamental Research Hyderabad, India

  • Sambit Kumar Das
  • Salini Senthil
  • Sabyasachi Chakraborty
  • Raghunathan Ramakrishnan

Scientific Publications using Pople

  1. Critical Benchmarking of the G4(MP2) Model, the Correlation Consistent Composite Approach and Popular Density Functional Approximations on a Probabilistically Pruned Benchmark Dataset of Formation Enthalpies, Sambit Kumar Das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan, The Journal of Chemical Physics, 154 (2021) 044113.