An adjustable contracted CI method |
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| Authors: | Yubin Wang Zhengting Gan Kehe Su Zhenyi Wen |
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| Institution: | (1) Institute of Modern Physics, Northwest University, 710069 Xi’an, China |
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| 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. |
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| Keywords: | configuration interaction contracted CI method correlation energy |
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