2 papers
cs.MS2026
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…
physics.chem-ph2024
"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…