(1s 2 2s 2 2p 5 5p 1 ) 1 D S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 4.339341 | .19042941 |
| 2 | 3p | 2.053607 | -1.73021677 |
| 3 | 4p | 1.690120 | 4.05445269 |
| 4 | 5p | 1.499897 | -2.97139969 |
| 5 | 2p | 9.277720 | .04696278 |
| 6 | 5p | 14.132609 | .00177039 |
| 7 | 5p | 1.463673 | -.14799817 |
| 8 | 4p | 33.396297 | -.00014942 |
| ORB.ENERGY,a.u. | -1.127000 | ||
| NORM | 1.000004 | < R > | 4.534059 | < R2 > | 23.113832 | < 1/R > | .316129 | < 1/R**2 > | .370348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.371606 | 1.20367444 |
| 2 | 3p | 6.331881 | -.27555030 |
| 3 | 2p | 12.227163 | .07001152 |
| 4 | 4p | 14.762717 | .01185437 |
| 5 | 4p | 1.153010 | -.00075191 |
| 6 | 5p | 2.358995 | .00084461 |
| 7 | 4p | 62.908251 | .00002169 |
| ORB.ENERGY,a.u. | -11.705000 | ||
| NORM | 1.000000 | < R > | .419954 | < R2 > | .217211 | < 1/R > | 3.071211 | < 1/R**2 > | 13.055682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.887086 | .38191622 |
| 2 | 2s | 6.653394 | -.83773096 |
| 3 | 3s | 5.965789 | -.30397245 |
| 4 | 4s | 18.141887 | .00464942 |
| 5 | 3s | 19.246475 | .00675932 |
| 6 | 5s | 34.689962 | .00050868 |
| 7 | 5s | 5.201458 | -.00432059 |
| 8 | 4s | 3.748253 | .00194701 |
| 9 | 3s | 2.421827 | -.00033328 |
| 10 | 2s | 84.959520 | .00000662 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462645 | < R2 > | .252641 | < 1/R > | 3.159571 | < 1/R**2 > | 40.933536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178339 | .92259887 |
| 2 | 1s | 22.236291 | .07366185 |
| 3 | 2s | 9.332479 | .02086252 |
| 4 | 3s | 11.616951 | -.02140213 |
| 5 | 4s | 14.461634 | .01063930 |
| 6 | 5s | 38.188325 | .00076386 |
| 7 | 4s | 89.001521 | -.00003667 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097015 | < R2 > | .012643 | < 1/R > | 15.580140 | < 1/R**2 > | 489.472854 |
Total Energy= -378.41289550 a.u.
Kinetic Energy= 378.41091761 a.u.
Potential Energy= -756.82381311 a.u.
Virial Ratio = -2.00000523