Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems-Reference-Cited by-同舟云学术

Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems

Published:2018-01-26 Issue:5 Volume:122 Page:1215-1227
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Maganas Dimitrios¹^ORCID,DeBeer Serena¹^ORCID,Neese Frank¹

Affiliation:

1. Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470 Mülheim an der Ruhr, Germany

Funder

Max-Planck-Gesellschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b10880

Reference71 articles.

1. Core Level Spectroscopy of Solids

2. X-ray Spectroscopic Characterization of Co(IV) and Metal–Metal Interactions in Co4O4: Electronic Structure Contributions to the Formation of High-Valent States Relevant to the Oxygen Evolution Reaction

3. Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering

4. Hard X-ray Photon-in Photon-out Spectroscopy as a Probe of the Temperature-Induced Delocalization of Electrons in Nanoscale Semiconductors

5. Operando X-ray Absorption Spectroscopy Study of Atomic Phase Reversibility with Wavelet Transform in the Lithium-Rich Manganese Based Oxide Cathode

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