(1s 2 2s 2 2p 3 3d 1 ) 5 D P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 2.826271 | 1.13013738 |
| 2 | 3d | 6.524031 | .04794823 |
| 3 | 4d | 3.359096 | -.16021106 |
| 4 | 5d | 21.317013 | -.00014001 |
| 5 | 5d | 1.849394 | .00029161 |
| 6 | 4d | 45.402622 | .00000835 |
| ORB.ENERGY,a.u. | -3.774100 | ||
| NORM | 1.000000 | < R > | 1.193453 | < R2 > | 1.650220 | < 1/R > | .996771 | < 1/R**2 > | 1.225756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.700547 | 1.35296466 |
| 2 | 3p | 7.287408 | -.43234783 |
| 3 | 4p | 8.944960 | .08030037 |
| 4 | 5p | 5.074183 | .00731315 |
| 5 | 4p | 21.644503 | -.00199249 |
| 6 | 3p | 21.724030 | -.00148475 |
| 7 | 4p | 6.582361 | -.00735959 |
| ORB.ENERGY,a.u. | -12.711000 | ||
| NORM | 1.000000 | < R > | .425569 | < R2 > | .221310 | < 1/R > | 3.001709 | < 1/R**2 > | 12.336465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.937623 | .39994903 |
| 2 | 2s | 6.367398 | -.85600169 |
| 3 | 3s | 6.050676 | -.28786751 |
| 4 | 4s | 25.044701 | .00196331 |
| 5 | 3s | 14.303851 | .01568022 |
| 6 | 5s | 5.912712 | -.01446817 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .479634 | < R2 > | .270624 | < 1/R > | 3.049480 | < 1/R**2 > | 37.919159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.175650 | .93173254 |
| 2 | 1s | 21.907062 | .06641867 |
| 3 | 2s | 12.656786 | .01834685 |
| 4 | 3s | 17.867237 | -.01483703 |
| 5 | 4s | 27.578118 | .00302247 |
| 6 | 5s | 53.445939 | .00008800 |
| 7 | 5s | 10.456281 | .00057978 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103371 | < R2 > | .014339 | < 1/R > | 14.611764 | < 1/R**2 > | 430.341569 |
Total Energy= -309.11356852 a.u.
Kinetic Energy= 309.16535836 a.u.
Potential Energy= -618.27892688 a.u.
Virial Ratio = -1.99983249