(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 4 D P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 7.951475 | .01317883 |
| 2 | 2p | 2.384608 | .05548767 |
| 3 | 5p | 1.927841 | -.06423299 |
| 4 | 4p | 8.369551 | .00349204 |
| 5 | 4p | .557266 | .56006794 |
| 6 | 5p | .322671 | -1.12322398 |
| 7 | 3p | 2.374655 | -.12596011 |
| 8 | 3p | .555103 | .10051778 |
| 9 | 2p | .143064 | -.02086631 |
| 10 | 5p | 39.398812 | -.00002303 |
| ORB.ENERGY,a.u. | -.168180 | ||
| NORM | 1.000000 | < R > | 17.489441 | < R2 > | 344.102362 | < 1/R > | .074409 | < 1/R**2 > | .017001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103362 | .26466476 |
| 2 | 2p | 1.079913 | -.87863883 |
| 3 | 3p | 1.980244 | -.29167664 |
| 4 | 2p | 8.134435 | .08502692 |
| 5 | 4p | 1.220407 | .12166146 |
| 6 | 3p | 12.446286 | -.00435624 |
| 7 | 4p | 30.129622 | -.00013550 |
| 8 | 5p | .256304 | .00029749 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.132112 | < R2 > | 5.300302 | < 1/R > | .618577 | < 1/R**2 > | .843544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.354105 | -.17718466 |
| 2 | 1s | 10.700768 | .17032536 |
| 3 | 1s | 41.214042 | .00023364 |
| 4 | 2s | 4.747995 | -.24276452 |
| 5 | 3s | 1.913404 | .83923733 |
| 6 | 4s | 3.411173 | .19450553 |
| 7 | 3s | 29.232696 | -.00058589 |
| 8 | 5s | 1.725283 | .06463429 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848285 | < R2 > | 3.936900 | < 1/R > | .724869 | < 1/R**2 > | 2.968413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372671 | .42809028 |
| 2 | 3p | 6.500495 | .49501823 |
| 3 | 2p | 20.147396 | .00249410 |
| 4 | 4p | 5.240095 | .18070486 |
| 5 | 5p | 4.031916 | .01287332 |
| 6 | 3p | 38.545072 | .00006475 |
| 7 | 4p | 82.692950 | -.00000233 |
| 8 | 3p | 1.601009 | .00090135 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483363 | < R2 > | .291776 | < 1/R > | 2.706580 | < 1/R**2 > | 10.286309 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194442 | .35988236 |
| 2 | 2s | 5.437882 | -.77667034 |
| 3 | 3s | 4.856534 | -.17147058 |
| 4 | 4s | 23.620530 | .00226521 |
| 5 | 2s | 6.760273 | -.17609695 |
| 6 | 3s | 15.374393 | .00817273 |
| 7 | 5s | 4.029912 | -.00309226 |
| 8 | 4s | 1.922364 | -.00024919 |
| 9 | 5s | 47.869383 | .00005535 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515322 | < R2 > | .315448 | < 1/R > | 2.833446 | < 1/R**2 > | 33.094092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.403614 | -.00021478 |
| 2 | 1s | 14.570410 | 1.01425840 |
| 3 | 2s | 21.105379 | -.02188133 |
| 4 | 3s | 11.321538 | .01689844 |
| 5 | 4s | 20.110086 | -.00094969 |
| 6 | 5s | 17.686111 | .00342830 |
| 7 | 5s | 62.486532 | -.00003186 |
| 8 | 4s | 12.074663 | -.00660203 |
| 9 | 2s | 54.222208 | .00013071 |
| 10 | 3s | 7.509779 | .00141296 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573862 | < 1/R**2 > | 428.620333 |
Total Energy= -340.38982015 a.u.
Kinetic Energy= 340.39096791 a.u.
Potential Energy= -680.78078806 a.u.
Virial Ratio = -1.99999663