(Q51473051)

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Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: application to symmetry breaking problems.

scientific article published in December 2011

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scholarly article

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22168676%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

Orbital-optimized third-order Møller-Plesset perturbation theory and its spin-component and spin-opposite scaled variants: application to symmetry breaking problems (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22168676%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

perturbation theory

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18 January 2020

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Uğur Bozkaya

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5 April 2018

http://europepmc.org/abstract/MED/22168676

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publication date

1 December 2011

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18 January 2020

Journal of Chemical Physics

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22168676%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

135

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18 January 2020

22

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18 January 2020

224103

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22168676%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

1 reference

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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

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Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules.

1 reference

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Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory.

1 reference

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The perfect quadruples model for electron correlation in a valence active space

1 reference

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A tractable and accurate electronic structure method for static correlations: the perfect hextuples model

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21 January 2018

Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method

1 reference

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The CC3 model: An iterative coupled cluster approach including connected triples

1 reference

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Calculation of properties with the coupled-cluster method

1 reference

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Coupled cluster response functions

1 reference

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Calculation of excited-state properties using general coupled-cluster and configuration-interaction models.

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Optimization of orbitals for multiconfigurational reference states

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Molecular Electronic-Structure Theory

1 reference

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Convergence acceleration of iterative sequences. the case of scf iteration

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21 January 2018

Spin-component scaled second-order Møller–Plesset perturbation theory for the calculation of molecular geometries and harmonic vibrational frequencies

1 reference

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21 January 2018

Spin-component-scaling second-order Møller-Plesset theory and its variants for economical correlation energies: unified theoretical interpretation and use for quartet N3.

1 reference

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21 January 2018

Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?

1 reference

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21 January 2018

PSI3: an open-source Ab Initio electronic structure package

1 reference

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Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

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21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

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21 January 2018

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

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Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function.

1 reference

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21 January 2018

Coupling term derivation and general implementation of state-specific multireference coupled cluster theories.

1 reference

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21 January 2018

Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited vibrational states

1 reference

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21 January 2018

Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics

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21 January 2018

Correlated ab Initio Spin Densities for Larger Molecules: Orbital-Optimized Spin-Component-Scaled MP2 Method

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21 January 2018

Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods

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21 January 2018

Spin-Component Scaling Methods for Weak and Stacking Interactions

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21 January 2018

Ordering of the O–O stretching vibrational frequencies in ozone

1 reference

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21 January 2018

The vibrational frequencies of ozone

1 reference

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21 January 2018

The analytic evaluation of energy first derivatives for two‐configuration self‐consistent‐field configuration interaction (TCSCF‐CI) wave functions. Application to ozone and ethylene

1 reference

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21 January 2018

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