Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.

By Kirk A. Peterson, T. Adler, Hans-Joachim Werner. Journal of Chemical Physics, 2008

1,239 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/14ea458dc9153f821a576508d169207c2104aaf2

How researchers see this paper

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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 Materials Chemistry

1. Qianli Ma
2. Hans-Joachim Werner

Citations in the corpus

• Explicitly correlated local coupled‐cluster methods using pair natural orbitals (2018, methodology): “All benchmark calculations were performed using the development version221 of MOLPRO.190 We primarily used the ccpVTZ-F12 basis sets of Peterson et al.4,5 that are specially designed for F12 calculations.”