(Q51293489)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23205981%20AND%20SRC:MED&resulttype=core&format=json

19 February 2020

title

Multireference equation-of-motion coupled cluster theory (English)

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19 February 2020

1

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19 February 2020

author name string

Marcel Nooijen

series ordinal

2

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19 February 2020

language of work or name

English

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publication date

1 November 2012

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Journal of Chemical Physics

19 February 2020

published in

1 reference

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19 February 2020

volume

137

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19 February 2020

issue

20

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19 February 2020

page(s)

204107

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Coupled-cluster theory in quantum chemistry

19 February 2020

cites work

1 reference

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

21 January 2018

1 reference

Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model

21 January 2018

1 reference

Coupled cluster response functions

21 January 2018

1 reference

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

21 January 2018

1 reference

Introduction of n-electron valence states for multireference perturbation theory

21 January 2018

1 reference

Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicals

21 January 2018

1 reference

Multireference coupled-cluster theory: the easy way.

21 January 2018

1 reference

Higher-order equation-of-motion coupled-cluster methods.

21 January 2018

1 reference

Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods.

21 January 2018

1 reference

Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals

21 January 2018

1 reference

Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited states.

21 January 2018

1 reference

Multireference nature of chemistry: the coupled-cluster view

21 January 2018

1 reference

Canonical transformation theory from extended normal ordering.

21 January 2018

1 reference

Strongly contracted canonical transformation theory

21 January 2018

1 reference

Anti-hermitian contracted schrödinger equation: direct determination of the two-electron reduced density matrices of many-electron molecules.

21 January 2018

1 reference

An orbital-invariant internally contracted multireference coupled cluster approach.

21 January 2018

1 reference

Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory.

21 January 2018

1 reference

Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals

21 January 2018

1 reference

State specific equation of motion coupled cluster method in general active space.

21 January 2018

1 reference

A state-specific partially internally contracted multireference coupled cluster approach.

21 January 2018

1 reference

An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

21 January 2018

1 reference

Configuration interaction calculations on the nitrogen molecule

21 January 2018

1 reference

Direct determination of the quantum-mechanical density matrix using the density equation.

21 January 2018

1 reference

Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach.

21 January 2018

1 reference

The Evaluation of the Collision Matrix

21 January 2018

1 reference

Full configuration interaction potential energy curves for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2): a challenge for approximate methods.

21 January 2018

1 reference

The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks.

21 January 2018

1 reference

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

21 January 2018

1 reference

General atomic and molecular electronic structure system

21 January 2018

1 reference

Property-optimized gaussian basis sets for molecular response calculations

21 January 2018

1 reference

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

21 January 2018

1 reference

n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants

21 January 2018

1 reference

The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

21 January 2018

1 reference

Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4766361

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23205981%20AND%20SRC:MED&resulttype=core&format=json

19 February 2020

1 reference