Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states-Reference-Cited by-同舟云学术

Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states

Published:2018-11-07 Issue:17 Volume:149 Page:174113
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Shee Avijit¹²^ORCID,Saue Trond³^ORCID,Visscher Lucas⁴^ORCID,Severo Pereira Gomes André²^ORCID

Affiliation:

1. Department of Chemistry, University of Michigan, 930 N. University, Ann Arbor, Michigan 48109-1055, USA

2. Université de Lille, CNRS, UMR 8523—PhLAM—Physique des Lasers, Atomes et Molécules, F-59000 Lille, France

3. Laboratoire de Chimie et Physique Quantiques, UMR 5626 CNRS—Université Toulouse III–Paul Sabatier, 118 Route de Narbonne, F-31062 Toulouse, France

4. Division of Theoretical Chemistry, Faculty of Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

Funder

Agence Nationale de la Recherche

Centre National de la Recherche Scientifique

European Regional Development Fund

Grand Équipement National De Calcul Intensif

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5053846

Reference160 articles.

1. S. Grimme, inReviews in Computational Chemistry, edited by K. B. Lipkowitz, R. Larter, and T. R. Cundari (Wiley, 2004), Vol. 20, pp. 153–218.

2. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

3. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

4. Multireference Nature of Chemistry: The Coupled-Cluster View

5. Progress in Time-Dependent Density-Functional Theory

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