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- W4291120558 abstract "This paper describes Wick&d, an implementation of the algebra of second-quantized operators normal ordered with respect to general correlated references and the corresponding Wick theorem [W. Kutzelnigg and D. Mukherjee, J. Chem. Phys. 107, 432 (1997)]. Wick&d employs a compact representation of operators and a backtracking algorithm to efficiently evaluate Wick contractions. Since Wick&d can handle both fully and partially contracted terms, it can be applied to both projective and Fock-space many-body formalisms. To demonstrate the usefulness of Wick&d, we use it to evaluate the single-reference coupled cluster equations up to octuple excitations and report an automated derivation and implementation of the second-order driven similarity renormalization group multireference perturbation theory (DSRG-MRPT2)." @default.
- W4291120558 created "2022-08-13" @default.
- W4291120558 creator A5090917114 @default.
- W4291120558 date "2022-08-12" @default.
- W4291120558 modified "2023-10-18" @default.
- W4291120558 title "Automatic derivation of many-body theories based on general Fermi vacua" @default.
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