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Kalipada Adhikari, Sudip Chattopadhyay, Barin Kumar De, Amitava Sharma, Ranendu Kumar Nath and Dhiman Sinha Search of truncation of (N−1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via Fock-space coupled cluster approach Journal of Computational Chemistry 34

Version of Record online: 9 MAR 2013 | DOI: 10.1002/jcc.23255

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The eigenvalue-independent partitioningvalence- universal multireference coupled cluster method is implemented with the full inclusion of triples excitations for computing and analyzing the entire main and several satellite peaks in the ionization potential spectra of several molecules.

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