Perspective: Multireference coupled cluster theories of dynamical electron correlation

doi:10.1063/1.5039496

Title: Perspective: Multireference coupled cluster theories of dynamical electron correlation

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Abstract

Predicting the electronic structure and properties of molecular systems that display strong electron correlation effects continues to remain a fundamental theoretical challenge. This perspective investigates the recent progress and current challenges in multireference wave function methods for dynamical electron correlation, honing in on systematically improvable methods that go beyond the limitations of configuration interaction and perturbation theory

Authors:

^[1]

Emory Univ., Atlanta, GA (United States)

Publication Date:: 2018-07-17

Research Org.:: Emory Univ., Atlanta, GA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI Identifier:: 1511684

Alternate Identifier(s):: OSTI ID: 1460599

Grant/Contract Number:: SC0016004

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 149; Journal Issue: 3; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

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                    Evangelista, Francesco A. Perspective: Multireference coupled cluster theories of dynamical electron correlation.  United States: N. p., 2018. 
        Web.  doi:10.1063/1.5039496.

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                    Evangelista, Francesco A. Perspective: Multireference coupled cluster theories of dynamical electron correlation.  United States.  doi:10.1063/1.5039496.

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                    Evangelista, Francesco A. Tue .  
        "Perspective: Multireference coupled cluster theories of dynamical electron correlation".  United States.  doi:10.1063/1.5039496.  https://www.osti.gov/servlets/purl/1511684.

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@article{osti_1511684,

  title        = {Perspective: Multireference coupled cluster theories of dynamical electron correlation},

  author       = {Evangelista, Francesco A.},

  abstractNote = {Predicting the electronic structure and properties of molecular systems that display strong electron correlation effects continues to remain a fundamental theoretical challenge. This perspective investigates the recent progress and current challenges in multireference wave function methods for dynamical electron correlation, honing in on systematically improvable methods that go beyond the limitations of configuration interaction and perturbation theory},

  doi          = {10.1063/1.5039496},

  journal      = {Journal of Chemical Physics},

  number       = 3,

  volume       = 149,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: 10.1063/1.5039496

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