Publications of Achintya Kumar Dutta

Dutta, A. K.; Neese, F.; Izsák, R. Accelerating the Coupled-Cluster Singles and Doubles Method Using the Chain-of-Sphere Approximation. Molecular Physics 2018, 116, 1428–1434.

Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R. Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies. Journal of Chemical Theory and Computation 2018, 14, 72–91.

Dutta, A. K.; Neese, F.; Izsák, R. A Simple Scheme for Calculating Approximate Transition Moments Within the Equation of Motion Expectation Value Formalism. The Journal of Chemical Physics 2017, 146, 214111.

Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R. Automatic Active Space Selection for the Similarity Transformed Equations of Motion Coupled Cluster Method. The Journal of Chemical Physics 2017, 146, 074103.

Dutta, A. K.; Neese, F.; Izsák, R. Towards a Pair Natural Orbital Coupled Cluster Method for Excited States. The Journal of Chemical Physics 2016, 145, 034102.

Dutta, A. K.; Neese, F.; Izsák, R. Speeding up Equation of Motion Coupled Cluster Theory with the Chain of Spheres Approximation. The Journal of Chemical Physics 2016, 144, 034102.