An efficient and near linear scaling pair natural orbital based local coupled cluster method.

By Christoph Riplinger, Frank Neese. Journal of Chemical Physics, 2013

1,532 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/49bfa92d76d7e0e1009d2d987eb15921fe90a7c5

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. Qianli Ma
2. Hans-Joachim Werner

In Electrical and Electronic Engineering

1. Qianli Ma
2. Hans-Joachim Werner

In Electronic, Optical and Magnetic Materials

1. Hans-Joachim Werner
2. Qianli Ma

Citations in the corpus

• Explicitly correlated local coupled‐cluster methods using pair natural orbitals (2018, methodology): “Since the orthogonalization, pseudo-canonicalization, and PNO generation steps all scale cubically with the domain size, this makes these steps 20–30 times slower than with OSVs.”