Unoccupied natural orbitals in two-electron Coulombic systems
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference13 articles.
1. Unoccupied Natural Orbitals of Two‐Electron Wavefunctions
2. A natural orbital diagnostic for multiconfigurational character in correlated wave functions
3. The question of the completeness of the natural orbitals with nonzero occupation numbers for atoms and molecules
4. The ground state of harmonium
5. On the exactness of extended Koopmans' eigenvalues
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3. Implications of the unitary invariance and symmetry restrictions on the development of proper approximate one-body reduced-density-matrix functionals;Physical Review A;2020-11-16
4. Natural amplitudes of the ground state of the helium atom: Benchmark calculations and their relevance to the issue of unoccupied natural orbitals in the H2 molecule;The Journal of Chemical Physics;2019-02-21
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