(Q57905501)

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Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas–Kroll transformation

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scholarly article

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Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas–Kroll transformation (English)

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object named as

Markus Reiher

2

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author name string

Alexander Wolf

1

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Bernd Artur Hess

3

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language of work or name

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publication date

8 May 2004

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Journal of Chemical Physics

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120

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18

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8624-8631

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The generalized Douglas–Kroll transformation

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https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

CODATA recommended values of the fundamental physical constants: 1998

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

Erratum: “Coupled cluster theory for high spin, open shell reference wave functions” [ J. Chem. Phys. 99, 5219 (1993)]

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe

1 reference

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21 January 2018

Relativistic and correlated calculations on the ground and excited states of ThO

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

Revision of the Douglas-Kroll transformation

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

Coupled cluster theory for high spin, open shell reference wave functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

State of the Art in Counterpoise Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1690757

21 January 2018

Identifiers

10.1063/1.1690757

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