Abstract:Besides the necessity of the development of sophisticated methods to calculate correlation energies - be it the coupled-cluster (CC) or the configuration-interaction (CI) methods and their various approaches - one also accentuate the need for efficient and less demanding methods in the area of medium and large molecular systems. Therefore, this article proposes a computational efficient and in our opinion reasonable approach for the calculation of correlation energies for medium and even larger molecules. This… Show more
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