Abstract
A new contracted CI scheme—adjustable contracted CI scheme—is presented and programed. The efficiency of this scheme is tested by some example calculations. The result shows that the application of the new scheme is flexible and the correlation energy loss is lower than that of the original externally contracted CI method. Keywords: configuration interaction, contracted CI method, correlation energy.
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Project supported by the National Natural Science Foundation of China (Grant No. 29773035).
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Wang, Y., Gan, Z., Su, K. et al. An adjustable contracted CI method. Sc. China Ser. B-Chem. 42, 649–655 (1999). https://doi.org/10.1007/BF02874331
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DOI: https://doi.org/10.1007/BF02874331