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 116 (11), pp. 1428 - 1434 (2018)

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 14 (1), pp. 72 - 91 (2018)

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 146 (21), 214111 (2017)

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 146 (7), 074103 (2017)

Dutta, A. K.; Neese, F.; Izsák, R.: Towards a pair natural orbital coupled cluster method for excited states. The Journal of Chemical Physics 145 (3), 034102 (2016)

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 144 (3), 034102 (2016)