Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions-Reference-Cited by-同舟云学术

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Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions

Published:2019-04-02 Issue:19 Volume:40 Page:1789-1799
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Delcey Mickael G.¹^ORCID,Sørensen Lasse Kragh¹^ORCID,Vacher Morgane¹^ORCID,Couto Rafael C.¹^ORCID,Lundberg Marcus¹^ORCID

Affiliation:

1. Department of Chemistry ‐ Ångström LaboratoryUppsala University S‐751 21, Uppsala Sweden

Funder

Carl Tryggers Stiftelse för Vetenskaplig Forskning

Knut och Alice Wallenbergs Stiftelse

Stiftelsen Olle Engkvist Byggmästare

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25832

Reference74 articles.

1. L-edge X-ray Absorption Spectroscopy of Non-Heme Iron Sites: Experimental Determination of Differential Orbital Covalency

2. Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules

3. Theoretical core-level excitation spectra of N2and CO by a new polarisation propagator method

4. Static polarizabilities and C6 dispersion coefficients using the algebraic-diagrammatic construction scheme for the complex polarization propagator

5. Description of core‐excitation spectra by the open‐shell electron‐attachment equation‐of‐motion coupled cluster method

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