(Q46274387)

English

Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions

scientific article published in June 2005

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions (English)

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

3

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

author name string

Sergey V Levchenko

1

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

Tao Wang

2

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Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

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publication date

1 June 2005

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

122

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Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

22

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Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

224106

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

Molecular Electronic-Structure Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

Adiabatic time-dependent density functional methods for excited state properties

1 reference

https://api.crossref.org/works/10.1063%2F1.1877072

21 January 2018

Identifiers

10.1063/1.1877072

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

21 December 2017

http://europepmc.org/abstract/MED/15974650

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