(Q45298002)

11 December 2017

Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure (English)

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11 December 2017

8

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11 December 2017

Dipayan Datta

3

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author name string

Marcel Nooijen

1

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11 December 2017

Ondřej Demel

2

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11 December 2017

Liguo Kong

4

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11 December 2017

K R Shamasundar

5

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11 December 2017

V Lotrich

6

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11 December 2017

Lee M Huntington

7

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11 December 2017

language of work or name

English

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publication date

1 February 2014

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Journal of Chemical Physics

11 December 2017

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11 December 2017

140

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11 December 2017

8

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11 December 2017

081102

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Coupled-cluster theory in quantum chemistry

11 December 2017

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An efficient and near linear scaling pair natural orbital based local coupled cluster method

21 January 2018

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Multireference equation-of-motion coupled cluster theory.

21 January 2018

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Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.

21 January 2018

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An algebraic proof of generalized Wick theorem.

21 January 2018

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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

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An efficient internally contracted multiconfiguration–reference configuration interaction method

21 January 2018

1 reference

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

21 January 2018

1 reference

Property-optimized gaussian basis sets for molecular response calculations

21 January 2018

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

21 January 2018

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Calculation of properties with the coupled-cluster method

21 January 2018

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A Non-antisymmetric Tensor Contraction Engine for the Automated Implementation of Spin-Adapted Coupled Cluster Approaches.

21 January 2018

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Canonical transformation theory from extended normal ordering.

21 January 2018

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

21 January 2018

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Coupled cluster response functions

21 January 2018

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21 January 2018

The ORCA program system

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Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities

21 January 2018

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Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4866795

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11 December 2017

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