(1s 2 2s 2 2p 1 5d 1 ) 3 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.572133 | 1.42359336 |
| 2 | 4d | 1.312048 | -4.01956616 |
| 3 | 5d | 1.194531 | 3.28245393 |
| 4 | 3d | 3.783830 | .04428588 |
| 5 | 5d | .916565 | -.01934266 |
| 6 | 5d | 5.844391 | -.00826020 |
| 7 | 4d | 18.027426 | .00010012 |
| 8 | 3d | 24.441976 | .00001697 |
| ORB.ENERGY,a.u. | -.738700 | ||
| NORM | 1.000005 | < R > | 5.587336 | < R2 > | 35.465334 | < 1/R > | .250313 | < 1/R**2 > | .131196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.106338 | 1.10317330 |
| 2 | 3p | 4.920664 | -.13261951 |
| 3 | 2p | 9.645524 | .03037942 |
| 4 | 5p | 11.918336 | .00562374 |
| 5 | 4p | 22.772878 | -.00060459 |
| 6 | 5p | 67.761201 | -.00001391 |
| 7 | 5p | 3.194967 | .00212904 |
| 8 | 3p | 2.035896 | -.00069506 |
| ORB.ENERGY,a.u. | -7.399100 | ||
| NORM | 1.000000 | < R > | .584000 | < R2 > | .414571 | < 1/R > | 2.176070 | < 1/R**2 > | 6.453789 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.719987 | .33583068 |
| 2 | 2s | 3.808641 | -.79576255 |
| 3 | 3s | 5.831202 | -.27450177 |
| 4 | 4s | 20.918765 | .00159248 |
| 5 | 5s | 11.465166 | -.01578210 |
| 6 | 5s | 4.314737 | .02322055 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657405 | < R2 > | .506814 | < 1/R > | 2.211418 | < 1/R**2 > | 19.812936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216487 | .92213059 |
| 2 | 1s | 16.040942 | .08038923 |
| 3 | 2s | 9.080873 | .01631453 |
| 4 | 3s | 11.636118 | -.01588376 |
| 5 | 4s | 57.725080 | -.00006584 |
| 6 | 5s | 25.337021 | .00122195 |
| 7 | 5s | 6.763869 | .00013147 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141852 | < R2 > | .026999 | < 1/R > | 10.653466 | < 1/R**2 > | 229.044759 |
Total Energy= -143.18714493 a.u.
Kinetic Energy= 143.18498939 a.u.
Potential Energy= -286.37213431 a.u.
Virial Ratio = -2.00001505