Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule

Keywords

Physics, Electron, Energy (signal processing), Degree (music), State (computer science)

References

• Atomic Bethe-Goldstone Equations. II. The Ne AtomR. K. Nesbet — 1967

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• Modernizing the core quantum chemistry algorithmsAndrey Asadchev — 2012
• AB Initio Prediction of Thermochemical Parameters for Flame SpeciesGeorge F. Adams, Gary D. Bent — 1980
• DEFLATING THE DIMENSIONALITY CURSE IN ELECTRONIC STRUCTUR E CALCULATIONSAnn Melnichuk — 2013
• Study of the excited states of the quantum antiferromagnetsM. Merdan — 2013
• Discontinuities-free complete-active-space state-specific multi-reference coupled cluster theory for describing bond stretching and dissociation.Iryna Zaporozhets, Vladimir V. Ivanov, Dmitry I. Lyakh — 2015
• Coupled-cluster method: A lattice-path-based subsystem approximation scheme for quantum lattice modelsR. F. Bishop, P. H. Y. Li — 2011
• Communication: The performance of non-iterative coupled cluster quadruples models.Janus J. Eriksen, Devin A. Matthews, Poul Jørgensen — 2015
• Application of linear response function theory in a coupled-cluster frameworkSyed Sajjad Zaheer Adnan, Sagarika Bhattacharya, Debashis Mukherjee — 1980
• Application of improved virtual orbital based multireference methods to N2, LiF, and C4H6 systems.Sudip Chattopadhyay, Rajat K. Chaudhuri, Uttam Sinha Mahapatra — 2008
• Improving upon CCSD(TQ(f)) for potential energy surfaces: ΛCCSD(TQ(f)) models.Monika Musiał, Rodney J. Bartlett — 2010
• Valence bond corrected single reference coupled cluster approachJosep Planelles, Josef Paldus, X. Li — 1994
• Structure of disiloxane: A semiempirical and Post‐Hartree–Fock studyGábor I. Csonka, Miklós Erdősy, J. Réffy — 1994
• Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional TheoryShyue Ping Ong, Gerbrand Ceder — 2010
• Theoretical considerations and computational tools.Marco Fioroni, Tamara Dworeck, F. Rodríguez-Ropero — 2014
• Quasidegenerate coupled-cluster approach with hermitian model HamiltonianVladimı́r Kvasnička — 1983
• Ab initio study of the energy hypersurface of uneven sulfuranes: Dissociation of HCl from Cl-SH (OH)-ClGábor I. Csonka, Michel Loos, A. KUCSMAN — 1994
• An adaptive coupled-cluster theory: @CC approach.Dmitry I. Lyakh, Rodney J. Bartlett — 2010
• An extension of the coupled cluster formalism to excited states: (II). Approximations and testsK. Emrich — 1981
• Higher-order diagrammatic vibrational coupled-cluster theory.Jacob A. Faucheaux, So Hirata — 2015

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