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Rodney J. Bartlett

Rodney J. BartlettRod Bartlett pioneered the development of coupled-cluster (CC) theory in quantum chemistry to offer highly accurate solutions of the Schroedinger equation for molecular structure and spectra, presenting the CCSD, CCSD[T], CCSDT, CCSDT[Qf], and CCSDTQmethods among many others. He extended the CC theory to excited, ionized, and electron attached states with his equation-of-motion EOM-CC methods. His group formulated analytical gradient theory for CC theory, making it possible to readily search potential energy surfaces and to provide vibrational spectra. His group introduced the STEOM-CC extensions for excited states.

His group is also responsible for the widely used ACES II and massively parallel ACES III program system. He is the author of more than 500 journal articles and book chapters. He is the co-author with Isaiah Shavitt of the definitive book on coupled-cluster theory, “Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster theory,” Cambridge Press, 2009.
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1.
A Snapshot of Molecular Electronic Structure Theory and its Applications
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Many-Body Methods in Chemistry and Physics
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AED584
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Release:
06 Aug 2009
Language:
English
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Recent Advances in Coupled-Cluster Methods
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AED667
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Release:
01 Jan 1997
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Many-Body Methods in Chemistry and Physics
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AED535
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Release:
06 Jan 2010
Language:
English
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Recent Advances In Coupled-cluster Methods
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AED465
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Release:
14 May 1997
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Many-Body Methods in Chemistry and Physics
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