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Table 1

Asymptotic states for Cu + H included in the calculations.

StateA 2SA + 1 LA nA lA EjCu$E_j^{\mathrm{Cu}}$ [eV] Ej[eV] Elim[eV] Neq Statec GScLcSALA$G_{S_c L_c}^{S_A L_A}$
Covalent states: Cu((2Sc+1Lc) nl2SA+1 LA)+H(1 s2 S)

3d104s 2S 2 0 4 0 0.000000 0.000000 7.726380 1 Cu+ 3d10 1S 1.0000
3d94s2 2D 2 2 4 0 1.490259 1.490259 10.534471 2 Cu+ 3d94s 3D 0.866
3d94s2 2D 2 2 4 0 1.490259 1.490259 10.982770 2 Cu+ 3d94s 1D 0.500
3d104p2 Po 2 1 4 1 3.806427 3.806427 7.726380 1 Cu+ 3d10 1S 1.0000
3d94s4p 4P0 4 1 4 1 4.922749 4.922749 10.534471 1 Cu+ 3d94s 3D 1.0000
3d94s4p 4F0 4 3 4 1 5.122793 5.122793 10.534471 1 Cu+ 3d94s 3D 1.0000
3d105s 2S 2 0 5 0 5.348335 5.348335 7.726380 1 Cu+ 3d10 1S 1.0000
3d94s4p 4D0 4 2 4 1 5.471163 5.471163 10.534471 1 Cu+ 3d94s 3D 1.0000
3d94s4p (3P) 2Fo 2 3 4 1 5.509004 5.509004 10.534471 1 Cu+ 3d94s 3D 0.500
3d94s4p (3P) 2Fo 2 3 4 1 5.509004 5.509004 10.982770 1 Cu+ 3d94s 1D 0.866
3d94s4p (3P) 2P0 2 1 4 1 5.685898 5.685898 10.534471 1 Cu+ 3d94s 3D 0.500
3d94s4p (3P)2P0 2 1 4 1 5.685898 5.685898 10.982770 1 Cu+ 3d94s 1D 0.866
3d94s4p (3P) 2D0 2 2 4 1 5.777459 5.777459 10.534471 1 Cu+ 3d94s 3D 0.500
3d94s4p (3P) 2Do 2 2 4 1 5.777459 5.777459 10.982770 1 Cu+ 3d94s 1D 0.866
3d105p 2Po 2 1 5 1 6.122718 6.122718 7.726380 1 Cu+ 3d10 1S 1.0000
3d104d 2D 2 2 4 2 6.191685 6.191685 7.726380 1 Cu+ 3d10 1S 1.0000
3d106s 2S 2 0 6 0 6.552410 6.552410 7.726380 1 Cu+ 3d10 1S 1.0000
3d106p 2P 2 1 6 1 6.802430 6.802430 7.726380 1 Cu+ 3d10 1S 1.0000
3d105d 2D 2 2 5 2 6.867466 6.867466 7.726380 1 Cu+ 3d10 1S 1.0000
3d104f 2Fo 2 3 4 3 6.872150 6.872150 7.726380 1 Cu+ 3d10 1S 1.0000
3d107s 2S 2 0 7 0 7.026355 7.026355 7.726380 1 Cu+ 3d10 1S 1.0000
3d94s4p (1P) 2Fo 2 3 4 1 7.057848 7.057848 10.534471 1 Cu+ 3d94s 3D 0.866
3d94s4p (1P) 2Fo 2 3 4 1 7.057848 7.057848 10.982770 1 Cu+ 3d94s 1D −0.500
3d94s4p (1P) 2P0 2 1 4 1 7.069245 7.069245 10.534471 1 Cu+ 3d94s 3D 0.866
3d94s4p (1P) 2P0 2 1 4 1 7.069245 7.069245 10.982770 1 Cu+ 3d94s 1D −0.500
3d94s4p (1P) 2Do 2 2 4 1 7.125026 7.125026 10.534471 1 Cu+ 3d94s 3D 0.866
3d94s4p (1P) 2Do 2 2 4 1 7.125026 7.125026 10.982770 1 Cu+ 3d94s 1D −0.500
3d107p 2Po 2 1 7 1 7.162831 7.162831 7.726380 1 Cu+ 3d10 1S 1.0000
3d106d 2D 2 2 6 2 7.177968 7.177968 7.726380 1 Cu+ 3d10 1S 1.0000
3d105f 2Fo 2 3 5 3 7.179832 7.179832 7.726380 1 Cu+ 3d10 1S 1.0000
3d105g 2G 2 4 5 4 7.181677 7.181677 7.726380 1 Cu+ 3d10 1S 1.0000
3d108s 2S 2 0 8 0 7.261618 7.261618 7.726380 1 Cu+ 3d10 1S 1.0000
3d107d 2D 2 2 7 2 7.346072 7.346072 7.726380 1 Cu+ 3d10 1S 1.0000
3d106f 2Fo 2 3 6 3 7.347252 7.347252 7.726380 1 Cu+ 3d10 1S 1.0000

Ionic states: Cu+(2SA+1 LA) + H(1s2 2S) EjCu+(eV)$E_{j}^{\mathrm{Cu}^{+}}(\mathrm{eV})$ Ej (eV)

Cu+ 3d10 1S 1 0 7.726380 6.972185
Cu+ 3d94s 3D 3 2 10.534471 9.780276
Cu+ 3d94s 1D 1 2 10.982770 10.228575

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