(1s 2 2s 2 2p 4 5d 1 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 1.830583 | 1.41733588 |
| 2 | 4d | 1.417604 | -5.36746557 |
| 3 | 5d | 1.403378 | 4.72358138 |
| 4 | 3d | 4.862279 | .04291084 |
| 5 | 5d | 7.166641 | -.01208134 |
| 6 | 4d | 14.750583 | .00056269 |
| 7 | 5d | 1.131841 | -.02397777 |
| 8 | 3d | 20.520083 | .00011055 |
| ORB.ENERGY,a.u. | -.997220 | ||
| NORM | .999998 | < R > | 4.823096 | < R2 > | 26.453199 | < 1/R > | .291623 | < 1/R**2 > | .180523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.123092 | 1.18280385 |
| 2 | 3p | 5.955791 | -.25253799 |
| 3 | 2p | 11.529020 | .06761600 |
| 4 | 4p | 13.520707 | .01254459 |
| 5 | 5p | 35.157275 | -.00014553 |
| 6 | 5p | 5.788782 | -.00255934 |
| ORB.ENERGY,a.u. | -10.970000 | ||
| NORM | 1.000000 | < R > | .440851 | < R2 > | .238493 | < 1/R > | 2.913664 | < 1/R**2 > | 11.700083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.022845 | .38714021 |
| 2 | 2s | 6.246486 | -.85316743 |
| 3 | 3s | 5.595625 | -.30171504 |
| 4 | 4s | 16.804678 | .00734822 |
| 5 | 3s | 18.836047 | .00640789 |
| 6 | 5s | 30.871683 | .00068635 |
| 7 | 5s | 6.618023 | .00925893 |
| 8 | 3s | 47.887579 | -.00006879 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489508 | < R2 > | .282380 | < 1/R > | 2.984055 | < 1/R**2 > | 36.420738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279572 |
| 2 | 1s | 20.928641 | .07367417 |
| 3 | 2s | 8.783124 | .02035747 |
| 4 | 3s | 10.788439 | -.02029836 |
| 5 | 4s | 13.364141 | .00939361 |
| 6 | 5s | 35.966145 | .00085821 |
| 7 | 4s | 85.214486 | -.00003475 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103536 | < R2 > | .014395 | < 1/R > | 14.597104 | < 1/R**2 > | 429.674427 |
Total Energy= -317.70219315 a.u.
Kinetic Energy= 317.68506610 a.u.
Potential Energy= -635.38725925 a.u.
Virial Ratio = -2.00005391