(1s 2 2s 2 2p 2 5p 1 ) 2 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 1.624503 | .02652823 |
| 2 | 3p | .196663 | -5.42430493 |
| 3 | 4p | .285691 | 5.23915769 |
| 4 | 5p | 1.271476 | -.04800156 |
| 5 | 2p | 3.460040 | .01118587 |
| 6 | 5p | 3.752719 | .00160719 |
| 7 | 5p | .812866 | -.14155241 |
| 8 | 3p | 6.465353 | -.00075889 |
| 9 | 2p | .115832 | .09446635 |
| ORB.ENERGY,a.u. | -.026592 | ||
| NORM | 1.000024 | < R > | 27.339888 | < R2 > | 840.877415 | < 1/R > | .049162 | < 1/R**2 > | .005847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.661648 | .64749247 |
| 2 | 2p | 2.822173 | .37588363 |
| 3 | 2p | 6.859785 | .01916421 |
| 4 | 4p | .556502 | -.00344314 |
| 5 | 5p | .373138 | .02557287 |
| 6 | 5p | 8.693111 | .00203699 |
| 7 | 4p | 3.146646 | .02186188 |
| 8 | 5p | 4.608704 | -.01625902 |
| 9 | 3p | .171669 | -.02549849 |
| ORB.ENERGY,a.u. | -1.000100 | ||
| NORM | 1.000000 | < R > | 1.245141 | < R2 > | 2.034916 | < 1/R > | 1.056642 | < 1/R**2 > | 1.582023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.897837 | .28619020 |
| 2 | 2s | 2.454704 | -.83250895 |
| 3 | 3s | 1.981616 | -.26758431 |
| 4 | 4s | 8.342160 | .02236285 |
| 5 | 3s | 10.231044 | .00696591 |
| 6 | 5s | 2.840980 | -.01421210 |
| 7 | 5s | 16.448080 | .00093094 |
| 8 | 3s | .987071 | -.00045841 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253058 | < R2 > | 1.874946 | < 1/R > | 1.140636 | < 1/R**2 > | 5.285085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229968 | .71793181 |
| 2 | 1s | 9.301963 | .22516625 |
| 3 | 1s | 2.654188 | .00485074 |
| 4 | 2s | 6.904031 | .08340990 |
| 5 | 3s | 7.777217 | -.02158304 |
| 6 | 4s | 12.680647 | .00688971 |
| 7 | 5s | 28.043987 | .00017128 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228087 | < R2 > | .070096 | < 1/R > | 6.656689 | < 1/R**2 > | 89.910201 |
Total Energy= -53.91481657 a.u.
Kinetic Energy= 53.91459625 a.u.
Potential Energy= -107.82941282 a.u.
Virial Ratio = -2.00000409