##master-page:HelpTemplate ##master-date:Unknown-Date #format wiki #language en #Please change following line to BDF module name = CCSD and EOM-CCSD = <> The CC program of Fan Wang. Please refer the following papers for basic theory: 1. CC with SOC (2008): http://scitation.aip.org/content/aip/journal/jcp/129/6/10.1063/1.2968136 2. EOM-IP (2012): http://scitation.aip.org/content/aip/journal/jcp/136/17/10.1063/1.4704894 3. EOM-EA (2012): http://www.sciencedirect.com/science/article/pii/S0009261412002011 4. EOM-EE (2014): http://pubs.acs.org/doi/abs/10.1021/ct500854m Note that in all calculations the reference must be a closed-shell RHF reference. The gradient has not been interfaced yet. Initially documented by Zhendong Li (2015-12-07). == Quick guides == The following examples give the minimal inputs for starting CC and EOM-CC calculations. 1. [[CCSD and CCSD(T)]] 2. [[EOM-CC]] 3. [[Electronic states of IBr+ from IBr as reference]]