Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21262/fullpdf
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1. Long-range Corrected Density Functional Theory Including a Two-Gaussian Hartree−Fock Operator for High Accuracy Core-excitation Energy Calculations of Both the Second- and Third-Row Atoms (LC2gau-core-BOP);Journal of Chemical Theory and Computation;2024-08-06
2. Self-interaction corrections in density functional theory;The Journal of Chemical Physics;2014-05-14
3. Density functional theory for comprehensive orbital energy calculations;The Journal of Chemical Physics;2013-08-14
4. Theoretical spectroscopy of O 1s and N 1s excited states of N2O;Journal of Physics: Conference Series;2011-04-01
5. Modified Regional Self-Interaction Correction Method Based on the Pseudospectral Method†;The Journal of Physical Chemistry A;2010-08-26
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