Related Experiment Video
Updated: Jan 26, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
On the distinguishable cluster approximation for triple excitations
1Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany.
Abstract:
The distinguishable cluster approximation applied to coupled cluster doubles equations greatly improves absolute and relative energies. We apply the same approximation to the triples equations and demonstrate that it can also improve the results of the coupled cluster method with singles, doubles, and triples. The resulting method has a nominal computational scaling of O(N7) in the real-space representation, and is orbital invariant, size extensive, and exact for three electrons.
Related Concept Videos
Linearization and Approximation
Application of Linearization and Approximation
Accuracy, limits, and approximation
Accuracy is defined as the closeness of the measured value to the true or actual value. In engineering mechanics, repeated measurements are taken during theoretical or experimental analyses to ensure that the result is precise and accurate.
The accuracy of any solution is based on the...
Linear Approximation in Frequency Domain
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
Linear Approximation in Time Domain
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
Scalar and Vector Triple Products
The scalar triple product is the dot product of a vector with the cross product of two vectors....

