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Advances in Quantum Chemistry by Per-Olov Lowdin, Vincenzo Barone, Alessandro Lami, Erkki J. Brandas, Michael C. Zerner, John R. Sabin

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Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost–Linear Coupled Cluster Methods with Singles and Doubles 1

Xiangzhu Lia); Ireneusz Grabowskib); Karol Jankowskib); Josef Paldusa),c)    a) Department of Applied Mathematics, University of Waterloo, Waterloo, Ontario N2L 3G1, Canadab) Institute of Physics, Nicholas Copernicus University, 87-100 Toruń, Polandc) Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, 87540 Garching bei München, Germany.

Abstract

The recently introduced version of the externally corrected coupled cluster method with singles and doubles (CCSD), exploiting a small active space multireference (MR) configuration interaction with singles and doubles (CISD) wave function as a source of ...

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