(1s 2 2s 1 4d 1 ) 3 D N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 1.187106 | 1.23589774 |
| 2 | 4d | .994527 | -1.75736304 |
| 3 | 5d | 4.879930 | .00045748 |
| 4 | 3d | 2.607113 | .03209590 |
| 5 | 5d | .891098 | .01867158 |
| 6 | 4d | 15.675776 | .00008591 |
| ORB.ENERGY,a.u. | -.513100 | ||
| NORM | .999999 | < R > | 5.090911 | < R2 > | 29.675853 | < 1/R > | .260313 | < 1/R**2 > | .111222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.864714 | .34957823 |
| 2 | 2s | 2.656226 | -.85032198 |
| 3 | 3s | 3.089274 | -.23630601 |
| 4 | 4s | 8.182856 | .03016889 |
| 5 | 3s | 8.699076 | .01249661 |
| 6 | 5s | 5.531316 | -.01916501 |
| 7 | 4s | 2.220741 | -.00462421 |
| 8 | 5s | 9.971485 | -.00831125 |
| 9 | 3s | 1.378354 | .00189309 |
| ORB.ENERGY,a.u. | -3.324200 | ||
| NORM | 1.000000 | < R > | 1.056366 | < R2 > | 1.302374 | < 1/R > | 1.364055 | < 1/R**2 > | 7.507374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.272993 | .89380034 |
| 2 | 1s | 10.057382 | .11228583 |
| 3 | 2s | 5.248050 | .01982947 |
| 4 | 3s | 7.737377 | -.02114331 |
| 5 | 4s | 12.938177 | .00507744 |
| 6 | 5s | 7.425343 | -.00550383 |
| 7 | 5s | 51.683268 | -.00001631 |
| 8 | 4s | 3.255177 | .00047529 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226936 | < R2 > | .069238 | < 1/R > | 6.678375 | < 1/R**2 > | 90.367468 |
Total Energy= -48.87101111 a.u.
Kinetic Energy= 48.83994532 a.u.
Potential Energy= -97.71095642 a.u.
Virial Ratio = -2.00063607