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Bernoulli Expansion based Unitary Coupled-Cluster #581

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Bernoulli Expansion based Unitary Coupled-Cluster #581

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46fc146
feat(mbpt): operator-valued Wick reduction for the Bernoulli expansion
ajay-mk Jul 26, 2026
5119afb
feat(mbpt): N/R operator split for the Bernoulli expansion
ajay-mk Jul 26, 2026
4dc4e71
feat(mbpt): rank-by-rank assembly of the Bernoulli H̄, Eqs. (45)-(50)
ajay-mk Jul 26, 2026
fb88ce8
feat(mbpt): select the Bernoulli H̄ expansion from the CC engine
ajay-mk Jul 26, 2026
93938df
test(mbpt): tests for Bernoullie UCC equations
ajay-mk Jul 26, 2026
4f9d435
docs(mbpt): correct the Bernoulli comments
ajay-mk Jul 27, 2026
e78e554
test(mbpt): cleanup Bernoulli related unit tests
ajay-mk Jul 27, 2026
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2 changes: 2 additions & 0 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -398,6 +398,8 @@ set(SeQuant_symb_src
set(SeQuant_mbpt_src
SeQuant/domain/mbpt/antisymmetrizer.cpp
SeQuant/domain/mbpt/antisymmetrizer.hpp
SeQuant/domain/mbpt/bernoulli.cpp
SeQuant/domain/mbpt/bernoulli.hpp
SeQuant/domain/mbpt/biorthogonalization.cpp
SeQuant/domain/mbpt/biorthogonalization.hpp
SeQuant/domain/mbpt/context.cpp
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