Journal Article 5 correlation energy Research Support, Non-U.S. Gov't 2 excited states 2 acrolein 1 calibration 1 coelenteramide 1 mehr ... complete basis set limit 1 composite model 1 confined atoms 1 correlation-consistent basis set 1 density-functional theory 1 deoxythymidine 1 electron density 1 energy fitting scheme 1 extrapolation model 1 extrapolation technique 1 hierarchical basis set 1 multiconfigurational perturbation theory 1 multireference perturbation theory 1 orthogonality constraints 1 weniger ...