Matches in Nanopublications for { ?s ?p <https://doi.org/10.18710/UOTXTK> ?g. }
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- The%20electronic%20density%20of%20the%20target%20region%20converges%20with%20cluster%20size%20although%20the%20energy%20of%20the%20target%20region%20does%20not. obtainsSupportFrom UOTXTK assertion.
- The%20Hartree%E2%80%93Fock%20electric%20dipole%20moment%20of%20the%20target%20region%20converges%20upon%20the%20inclusion%20of%20approximately%20three%20shells%20beyond%20the%20target%20region. obtainsSupportFrom UOTXTK assertion.
- Convergence%20of%20CC2-in-HF%20vertical%20excitation%20energies%20for%20the%20target%20region%20is%20achieved%20with%20approximately%20three%20shells%20beyond%20the%20target%20region. obtainsSupportFrom UOTXTK assertion.
- The%20choice%20of%20basis%20set%20in%20shells%20beyond%20the%20target%20region%20has%20a%20negligible%20effect%20on%20the%20Hartree%E2%80%93Fock%20dipole%20moment%20of%20the%20target%20region%20when%20a%20high-quality%20basis%20set%20is%20used%20for%20the%20target%20itself. obtainsSupportFrom UOTXTK assertion.
- For%20CC2-in-HF%20vertical%20excitation%20energies%2C%20the%20basis%20set%20quality%20in%20shell%201%20is%20more%20critical%20than%20in%20shell%202. obtainsSupportFrom UOTXTK assertion.
- A%20minimal%20basis%20description%20of%20the%20outer%20shells%20%28shell%203%2B%29%20is%20sufficient%20to%20capture%20the%20correct%20interaction%20with%20the%20target%20region%20for%20calculating%20electronic%20properties. obtainsSupportFrom UOTXTK assertion.