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- W229478093 abstract "Abstract : Accomplishments made during this reporting period include the further development of multi-reference Fock space coupled-cluster theory, with emphasis on its relationship to the equation-of-motion CC method for excited states. The importance of these studies is that each approach has some advantages and disadvantages. The hope is to combine them into one method with the best of both. In addition this period includes our introduction of the new nCC hierarchy which means it has to be exact for n electrons, but is computationally simpler than the corresponding traditional CCSD, CCSDT, CCSDTQ, etc. hierarchy. The seamless connection between correlated wavefunction theory and the effective, one-particle density functional theory which leads to ab initio density dft has been further developed. Also discussed is further work on the massively parallel ACES III program system." @default.
- W229478093 created "2016-06-24" @default.
- W229478093 creator A5088187289 @default.
- W229478093 date "2009-12-31" @default.
- W229478093 modified "2023-09-26" @default.
- W229478093 title "Molecules and Their Interactions: The Development of New Theory and Its Implementation" @default.
- W229478093 doi "https://doi.org/10.21236/ada547430" @default.
- W229478093 hasPublicationYear "2009" @default.
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