Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)]

Abstract

This Comment identifies errors in the formalism/implementation reported in Ref. 1 and discusses some aspects of that work that were not fully specified in the original publication. This Comment also provides reference numerical results for a simple system to ease future implementation of the approach by other researchers.

3 pages

References in corpus (1)

• Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer

Cited by in corpus (5)

• Studies on the Transcorrelated Method
• Slimmer Geminals For Accurate F12 Electronic Structure Models
• Non-iterative Triples for Transcorrelated Coupled Cluster Theory
• Towards Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
• SeQuant Framework for Symbolic and Numerical Tensor Algebra. I. Core Capabilities