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Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes [PDF]
, 2012 Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure.
Frederick R. Manby +4 more
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Embeddings and Expansions [PDF]
Bulletin of the Belgian Mathematical Society - Simon Stevin, 2003 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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Density matrix embedding: A strong-coupling quantum embedding theory [PDF]
, 2012 We extend our density matrix embedding theory (DMET) [Phys. Rev. Lett. 109 186404 (2012)] from lattice models to the full chemical Hamiltonian. DMET allows the many-body embedding of arbitrary fragments of a quantum system, even when such fragments are ...
Chan, Garnet Kin-Lic, Knizia, Gerald
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Frontiers in Plant Science, 2017 Staining and immunodetection by light microscopy are methods widely used to investigate plant cell walls. The two techniques have been crucial to study the cell wall architecture in planta, its deconstruction by chemicals or cell wall-degrading enzymes ...
Yves Verhertbruggen +8 more
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Embedding ecosystem services ideas into policy processes: an institutional analysis
Ecology and Society, 2020 What helps or limits the use of ecosystem services ideas in practice? In this paper we develop and test a new institutionalist-based analytical scheme to explore how ecosystem services as a "new" policy idea might interact with established policy regimes,
Duncan J. Russel, John Turnpenny
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Frontiers in Bioinformatics, 2022 As one of the most important posttranslational modifications (PTMs), protein lysine glycation changes the characteristics of the proteins and leads to the dysfunction of the proteins, which may cause diseases.
Yinbo Liu +5 more
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Social network influences on employee responses to organizational withdrawals [PDF]
Organization Management Journal, 2020 Purpose – The purpose of this paper is to develop a more detailed understanding of how embedding in different social networks relates to different types of action that individuals choose in the context of organizational closures, downsizing or ...
Frank Siedlok +2 more
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Embedding cube-connected cycles graphs into faulty hypercubes [PDF]
, 1994 We consider the problem of embedding a cube-connected cycles graph (CCC) into a hypercube with edge faults. Our main result is an algorithm that, given a list of faulty edges, computes an embedding of the CCC that spans all of the nodes and avoids all of
Bruck, Jehoshua +2 more
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Physical Review D, 1998 We present a discussion of embedded vortices in general Yang-Mills theories. The origin of a family structure of solutions is shown to be group theoretic in nature and a procedure for its determination is developed. Vortex stability can be quantified into three types: Abelian topological stability, non-Abelian topological stability, and dynamical ...
Nathan F. Lepora, Anne-Christine Davis
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