8 citations · 21 across the 5 of their papers we have counts for
5 papers
SeQuant Framework for Symbolic and Numerical Tensor Algebra. I. Core Capabilities
Bimal Gaudel, Robert G. Adam, Ajay Melekamburath +5
SeQuant is an open-source library for symbolic algebra of tensors over commutative (scalar) and non-commutative (operator) rings. The key innovation supporting most of its function…
Towards Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
Conner Masteran, Bimal Gaudel, Edward F. Valeev
By correlating only the 1-particle states occupied in the reference determinant the conventional design for the single-reference R12/F12 explicitly-correlated methods biases them t…
Slimmer Geminals For Accurate F12 Electronic Structure Models
Samuel R. Powell, Kshitijkumar A. Surjuse, Bimal Gaudel +1
The Slater-type F12 geminal lengthscales originally tuned for the second-order Møller-Plesset F12 method are too large for higher-order F12 methods formulated using the SP (diagona…
"Best" iterative coupled-cluster triples model: More evidence for 3CC
Nakul Teke, Ajay Melekamburath, Bimal Gaudel +1
To follow up on the unexpectedly-good performance of several coupled-cluster models with approximate inclusion of 3-body clusters [J. Chem. Phys. 151, 064102 (2019)] we performed a…
Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)]
Conner Masteran, Ashutosh Kumar, Nakul Teke +3
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.…