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A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states
Achintya Kumar Dutta, Masaaki Saitow, Baptiste Démoulin, Frank Neese, Róbert Izsák (2019). A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states. The Journal of Chemical Physics, 150(16), DOI: 10.1063/1.5089637.
Article169 days agoMultilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application
Soumi Haldar, Christoph Riplinger, Baptiste Démoulin, Frank Neese, Róbert Izsák, Achintya Kumar Dutta (2019). Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application. Journal of Chemical Theory and Computation, 15(4), pp. 2265-2277, DOI: 10.1021/acs.jctc.8b01263.
Article169 days ago