(1s 2 2s 2 2p 2 4d 1 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 2.527801 | 1.43113042 |
| 2 | 4d | 2.222646 | -1.94900796 |
| 3 | 3d | 6.159174 | .01616115 |
| 4 | 5d | 2.073956 | .02694446 |
| 5 | 5d | 13.497556 | .00400012 |
| 6 | 5d | 23.905190 | .00025125 |
| 7 | 3d | 13.303356 | .00169235 |
| ORB.ENERGY,a.u. | -2.552000 | ||
| NORM | .999999 | < R > | 2.302085 | < R2 > | 6.076105 | < 1/R > | .577210 | < 1/R**2 > | .547352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.807837 | 1.14700170 |
| 2 | 3p | 6.801134 | -.17179828 |
| 3 | 2p | 14.725796 | .02027409 |
| 4 | 4p | 17.221030 | .00867728 |
| 5 | 5p | 23.936635 | -.00193543 |
| 6 | 5p | 3.122357 | .00039765 |
| 7 | 4p | 62.922039 | .00004872 |
| ORB.ENERGY,a.u. | -14.927000 | ||
| NORM | 1.000000 | < R > | .409349 | < R2 > | .203588 | < 1/R > | 3.101236 | < 1/R**2 > | 13.080109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924832 | .41145954 |
| 2 | 2s | 6.451409 | -.85428128 |
| 3 | 3s | 6.615473 | -.28049360 |
| 4 | 4s | 25.063639 | .00210055 |
| 5 | 3s | 14.218269 | .01685043 |
| 6 | 5s | 6.643457 | -.02738622 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467443 | < R2 > | .256236 | < 1/R > | 3.132308 | < 1/R**2 > | 39.840732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110000 | .92171227 |
| 2 | 1s | 21.590609 | .07718857 |
| 3 | 2s | 13.470551 | .01932118 |
| 4 | 3s | 16.736163 | -.01553457 |
| 5 | 5s | 35.666680 | .00099041 |
| 6 | 4s | 86.712679 | -.00003303 |
| 7 | 5s | 11.527705 | .00052813 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628489 | < 1/R**2 > | 431.104172 |
Total Energy= -294.30940399 a.u.
Kinetic Energy= 294.24694127 a.u.
Potential Energy= -588.55634527 a.u.
Virial Ratio = -2.00021228