(1s 2 2s 2 2p 2 4d 1 ) 2 D F 2+
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 | .792313 | 1.75195879 |
| 2 | 4d | .743944 | -2.24064469 |
| 3 | 3d | 3.933105 | .00848050 |
| 4 | 5d | 1.952942 | -.00783469 |
| 5 | 4d | 8.616292 | -.00020473 |
| ORB.ENERGY,a.u. | -.279910 | ||
| NORM | 1.000002 | < R > | 7.012640 | < R2 > | 56.323604 | < 1/R > | .188760 | < 1/R**2 > | .058206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.799170 | .81689458 |
| 2 | 2p | 4.675741 | .19671316 |
| 3 | 2p | 9.475125 | .01149740 |
| 4 | 3p | 2.303947 | .01763214 |
| 5 | 4p | 3.675189 | -.00951237 |
| 6 | 5p | 19.307795 | -.00074299 |
| 7 | 4p | 27.790541 | -.00013066 |
| 8 | 5p | .637081 | .00013151 |
| ORB.ENERGY,a.u. | -2.945300 | ||
| NORM | 1.000000 | < R > | .816747 | < R2 > | .820694 | < 1/R > | 1.578823 | < 1/R**2 > | 3.457596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.429913 | .33379603 |
| 2 | 2s | 3.417472 | -.85071183 |
| 3 | 3s | 3.101562 | -.25878333 |
| 4 | 4s | 10.258137 | .01250765 |
| 5 | 3s | 11.192088 | .01238346 |
| 6 | 5s | 3.187612 | -.01331286 |
| 7 | 5s | 30.214332 | -.00011424 |
| 8 | 3s | 25.038444 | -.00025985 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880930 | < R2 > | .917428 | < 1/R > | 1.636397 | < 1/R**2 > | 10.903631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278266 | .68788396 |
| 2 | 1s | 12.188088 | .22285992 |
| 3 | 1s | 2.690397 | .00561745 |
| 4 | 2s | 9.052839 | .12782140 |
| 5 | 3s | 10.122224 | -.02745895 |
| 6 | 4s | 17.035052 | .00330807 |
| 7 | 5s | 4.812638 | -.00126016 |
| 8 | 5s | 52.805704 | -.00003419 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175226 | < R2 > | .041296 | < 1/R > | 8.645431 | < 1/R**2 > | 151.229080 |
Total Energy= -95.60969724 a.u.
Kinetic Energy= 95.59951880 a.u.
Potential Energy= -191.20921605 a.u.
Virial Ratio = -2.00010647