Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core–Valence-Separated Equation-of-Motion Coupled-Cluster Methods-Reference-Cited by-同舟云学术

Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core–Valence-Separated Equation-of-Motion Coupled-Cluster Methods

Published:2019-01-31 Issue:3 Volume:15 Page:1642-1651
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liu Junzi¹,Matthews Devin²,Coriani Sonia³^ORCID,Cheng Lan¹^ORCID

Affiliation:

1. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, United States

2. Department of Chemistry, Southern Methodist University, Dallas, Texas 75275, United States

3. Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark

Funder

Det Frie Forskningsr?d

Johns Hopkins University

Institut for Kemi, Danmarks Tekniske Universitet

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01160

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5. Synchrotron Radiation

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