(Q46901761)

26 December 2017

title

Accurate basis set truncation for wavefunction embedding (English)

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26 December 2017

author name string

Taylor A Barnes

1

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26 December 2017

Jason D Goodpaster

2

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26 December 2017

Frederick R Manby

3

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26 December 2017

Thomas F Miller

4

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26 December 2017

language of work or name

English

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publication date

1 July 2013

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26 December 2017

Journal of Chemical Physics

published in

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26 December 2017

volume

139

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26 December 2017

issue

2

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26 December 2017

page(s)

024103

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26 December 2017

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order Møller−Plesset Perturbation Theory Energies for Large Water Clusters

21 January 2018

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21 January 2018

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Application of the Electrostatically Embedded Many-Body Expansion to Microsolvation of Ammonia in Water Clusters

21 January 2018

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Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water Hexamers

21 January 2018

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21 January 2018

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Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit

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21 January 2018

Identifiers

DOI

10.1063/1.4811112

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26 December 2017

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26 December 2017