(1s 2 2s 2 2p 2 3d 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 3.469099 | 1.07855827 |
| 2 | 3d | 8.264038 | .02004156 |
| 3 | 4d | 4.301586 | -.09148724 |
| 4 | 5d | 22.118328 | -.00031526 |
| 5 | 5d | 2.973688 | .00242666 |
| ORB.ENERGY,a.u. | -5.752900 | ||
| NORM | 1.000000 | < R > | .997452 | < R2 > | 1.144879 | < 1/R > | 1.181246 | < 1/R**2 > | 1.698630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.295869 | 1.14949466 |
| 2 | 3p | 7.433141 | -.17078519 |
| 3 | 2p | 15.545361 | .01857521 |
| 4 | 4p | 17.993790 | .00483110 |
| 5 | 5p | 29.351802 | -.00066771 |
| 6 | 5p | 4.261353 | -.00024039 |
| 7 | 4p | 87.707688 | .00001101 |
| ORB.ENERGY,a.u. | -17.281000 | ||
| NORM | 1.000000 | < R > | .379072 | < R2 > | .174469 | < 1/R > | 3.346320 | < 1/R**2 > | 15.213336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.624639 | .42066642 |
| 2 | 2s | 6.964774 | -.86185290 |
| 3 | 3s | 7.045169 | -.28425326 |
| 4 | 4s | 26.454334 | .00221173 |
| 5 | 3s | 15.158788 | .01561310 |
| 6 | 5s | 6.883342 | -.02255037 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434722 | < R2 > | .221664 | < 1/R > | 3.373856 | < 1/R**2 > | 46.215857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112674 | .92671783 |
| 2 | 1s | 23.111704 | .07201079 |
| 3 | 2s | 14.127784 | .01947600 |
| 4 | 3s | 17.753713 | -.01558698 |
| 5 | 5s | 37.728119 | .00090155 |
| 6 | 4s | 89.222743 | -.00003639 |
| 7 | 5s | 11.703558 | .00037796 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096556 | < R2 > | .012497 | < 1/R > | 15.627048 | < 1/R**2 > | 491.756200 |
Total Energy= -340.70932061 a.u.
Kinetic Energy= 340.68143610 a.u.
Potential Energy= -681.39075671 a.u.
Virial Ratio = -2.00008185