Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)

By Martin Schütz. 2000

325 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/194b05ab99500a4654c53cd8e1153cdc15dc1d77

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. Hans-Joachim Werner
2. Frederick R. Manby
3. G. Knizia
4. Reinhold Schneider
5. Peter J. Knowles
6. Helmut Harbrecht
7. Michael Peters
8. Martin Schütz

In Materials Chemistry

1. Frederick R. Manby
2. Hans-Joachim Werner
3. Peter J. Knowles
4. G. Knizia
5. Reinhold Schneider
6. Michael Peters
7. Helmut Harbrecht

Citations in the corpus

• On the low-rank approximation by the pivoted Cholesky decomposition (2012, methodology): “With these methods at hand, for large systems and using local basis functions, the whole cost could be reduced to O(K) for linear scaling MP2 (MøllerPlesset 2nd order perturbation theory) [16, 19] or coupled cluster calculations [20, 21].”
• Molpro: a general‐purpose quantum chemistry program package (2012, methodology): “A noniterative approximation 70,71 [denoted as (T0)] is normally used for the perturbative triples correction (iterative variants are also available).”