(1s 2 2s 2 2p 5 5d 1 ) 1 D S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 1.888304 | 1.25141583 |
| 2 | 4d | 1.485730 | -4.29427223 |
| 3 | 5d | 1.408808 | 3.77144468 |
| 4 | 3d | 4.303091 | .07192454 |
| 5 | 5d | 6.339765 | -.01816225 |
| 6 | 4d | 11.778025 | .00342720 |
| 7 | 5d | 1.214209 | -.04499876 |
| 8 | 3d | 16.215169 | .00058985 |
| ORB.ENERGY,a.u. | -1.010500 | ||
| NORM | .999999 | < R > | 4.753196 | < R2 > | 25.705133 | < 1/R > | .297669 | < 1/R**2 > | .192527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.372340 | 1.20229206 |
| 2 | 3p | 6.338259 | -.27471827 |
| 3 | 2p | 12.210118 | .07042276 |
| 4 | 4p | 14.690488 | .01207383 |
| 5 | 5p | 84.124024 | .00001452 |
| 6 | 5p | 4.435875 | .00038431 |
| ORB.ENERGY,a.u. | -11.702000 | ||
| NORM | 1.000000 | < R > | .420013 | < R2 > | .217285 | < 1/R > | 3.071055 | < 1/R**2 > | 13.055322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.877853 | .38237452 |
| 2 | 2s | 6.654323 | -.83786584 |
| 3 | 3s | 5.956430 | -.30421052 |
| 4 | 4s | 19.168948 | .00378081 |
| 5 | 3s | 18.310215 | .00686456 |
| 6 | 5s | 37.983580 | .00047856 |
| 7 | 5s | 5.055828 | -.00280041 |
| 8 | 4s | 3.343525 | .00102884 |
| 9 | 3s | 2.211096 | -.00029242 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462610 | < R2 > | .252608 | < 1/R > | 3.159891 | < 1/R**2 > | 40.941435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178710 | .92259641 |
| 2 | 1s | 22.236054 | .07366065 |
| 3 | 2s | 9.339971 | .02084197 |
| 4 | 3s | 11.625643 | -.02138644 |
| 5 | 4s | 14.468692 | .01062785 |
| 6 | 5s | 38.383769 | .00077117 |
| 7 | 4s | 88.763975 | -.00003417 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097011 | < R2 > | .012641 | < 1/R > | 15.580565 | < 1/R**2 > | 489.494008 |
Total Energy= -378.30069740 a.u.
Kinetic Energy= 378.29486158 a.u.
Potential Energy= -756.59555897 a.u.
Virial Ratio = -2.00001543