Open Access
Table 1
Asymptotic states for Cu + H included in the calculations.
StateA | 2SA + 1 | LA | nA | lA | ![]() |
Ej[eV] | Elim[eV] | Neq | Statec | ![]() |
---|---|---|---|---|---|---|---|---|---|---|
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) | ![]() |
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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