Ab initio calculation of core-electron binding energies in small molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference13 articles.
1. Calculations of core-electron binding energies by transition operator method followed by Rayleigh-Schröudinger perturbation theory
2. Perturbation corrections to Koopmans' theorem. II. A study of basis set variation
3. Calculation of vertical ionization potentials of hydrogen fluoride by perturbation corrections to koopmans' theorem
4. Transition atomic basis set for the calculation of core-electron binding energies by a transition operator method
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1. Relativistic correction scheme for core-level binding energies from GW;The Journal of Chemical Physics;2020-09-21
2. Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy by the Δ Self-Consistent-Field Approach;Journal of Chemical Theory and Computation;2018-11-29
3. ΔDFT/MIX: A reliable and efficient method for calculating core electron binding energies of large molecules;Journal of Electron Spectroscopy and Related Phenomena;2018-08
4. Density‐functional calculation of core‐electron binding energies of C, N, O, and F;The Journal of Chemical Physics;1995-08
5. Accurate calculation of core-electron binding energies by the density-functional method;Chemical Physics Letters;1995-01
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