Advances in methods and algorithms in a modern quantum chemistry program package.

By Yihan Shao, László Molnár, Yousun Jung, J. Kussmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T. B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, D. O’Neill and 58 more. Physical Chemistry, Chemical Physics - PCCP, 2006

2,168 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/43b804f67ee258e696ab924a2b0979fd8eda487d

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. Roberto Peverati
2. Donald G. Truhlar
3. John F. Stanton
4. J. Demmel
5. Devin A. Matthews
6. Edgar Solomonik
7. Jeff R. Hammond
8. Stefan Grimme

In Spectroscopy

1. Roberto Peverati
2. Donald G. Truhlar
3. John F. Stanton
4. J. Demmel
5. Devin A. Matthews
6. Edgar Solomonik
7. Jeff R. Hammond

Citations in the corpus

• A massively parallel tensor contraction framework for coupled-cluster computations (2014, background): “MRCC [25] is unique in its ability to perform arbitrary-order calculations for a variety of CC and related methods.”