ΔSCF Dyson orbitals and pole strengths from natural ionization orbitals
Author:
Affiliation:
1. Department of Chemistry and Chemical Biology and Center for Chemical Computation and Theory, University of California, Merced, California 95343, USA
Funder
Directorate for Computer and Information Science and Engineering
Division of Chemistry
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/am-pdf/10.1063/5.0040454
Reference98 articles.
1. Study of MoNbOy (y = 2–5) Anion and Neutral Clusters Using Photoelectron Spectroscopy and Density Functional Theory Calculations: Impact of Spin Contamination on Single Point Calculations
2. Simple Relationship between Oxidation State and Electron Affinity in Gas-Phase Metal–Oxo Complexes
3. Structures of Mo2Oy− and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations
4. Study of MoVOy (y = 2−5) Anion and Neutral Clusters using Anion Photoelectron Spectroscopy and Density Functional Theory Calculations
5. Electronic structures of MoWOy− and MoWOy determined by anion photoelectron spectroscopy and DFT calculations
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