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CCSD and EOM-CCSD
Contents
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
![/!\](/moin_static197/moniker/img/alert.png "/!\"){kind=small}
Edit conflict - other version:
Note that in all calculations the reference must be a closed-shell RHF reference. The gradient has not been interfaced yet.
Documented by Zhendong Li.
Edit conflict - your version:
Note that in all calculations the reference must be a closed-shell RHF reference. The gradient has not been interfaced yet.
Documented by Zhendong Li (2015-12-07).
End of edit conflict
Quick guides
The following examples give the minimal inputs for starting CC and EOM-CC calculations.
2. EOM-CC