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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 112, 2014 - Issue 2
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Research Article

Algebraic connectivity analysis in molecular electronic structure theory II: total exponential formulation of second-quantised correlated methods

Dmitry I. LyakhQuantum Theory Project, University of Florida, Gainesville, FL, USACorrespondence[email protected]
&
Rodney J. BartlettQuantum Theory Project, University of Florida, Gainesville, FL, USA
Pages 213-260 | Received 19 Oct 2012, Accepted 20 May 2013, Published online: 26 Jun 2013

Citations (9)

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Read on this site (2)

Dmitry I. Lyakh. (2018) Efficient electronic structure theory via hierarchical scale-adaptive coupled-cluster formalism: I. Theory and computational complexity analysis. Molecular Physics 116:5-6, pages 588-601.
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Dmitry I. Lyakh & Rodney J. Bartlett. (2012) A remark on the disconnected nature of Lagrange equations in the context of a linear-scaling implementation of the coupled-cluster energy gradients. Molecular Physics 110:19-20, pages 2343-2348.
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Articles from other publishers (7)

Jonathon P. Misiewicz, Justin M. Turney & Henry F. SchaeferIIIIII. (2020) Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering. Journal of Chemical Theory and Computation 16:10, pages 6150-6164.
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Suvonil Sinha Ray, Shovan Manna, Anirban Ghosh, Rajat K. Chaudhuri & Sudip Chattopadhyay. (2019) Multireference perturbation theory with improved virtual orbitals for radicals: More degeneracies, more problems. International Journal of Quantum Chemistry 119:4, pages e25776.
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Michael Hanrath. (2018) A simple and operational test for external connectivity of tensors in many-body methods. Theoretical Chemistry Accounts 137:6.
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Szymon Śmiga & Eduardo Fabiano. (2017) Approximate solution of coupled cluster equations: application to the coupled cluster doubles method and non-covalent interacting systems. Physical Chemistry Chemical Physics 19:44, pages 30249-30260.
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Á. Szabados. 2017. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering.
Avijit Sen, Sangita Sen & Debashis Mukherjee. (2015) Aspects of Size-Consistency of Orbitally Noninvariant Size-Extensive Multireference Perturbation Theories: A Case Study Using UGA-SSMRPT2 as a Prototype. Journal of Chemical Theory and Computation 11:9, pages 4129-4145.
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Dmitry I. Lyakh. (2014) Scale-adaptive tensor algebra for local many-body methods of electronic structure theory. International Journal of Quantum Chemistry 114:23, pages 1607-1618.
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