(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 4 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | .358288 | 1.18983314 |
| 2 | 4d | .432993 | -.21146972 |
| 3 | 3d | 1.238069 | .17990646 |
| 4 | 4d | 1.553372 | -.16971372 |
| 5 | 5d | 1.876740 | .04665222 |
| 6 | 3d | 5.365977 | .00181094 |
| 7 | 4d | 16.323857 | .00002904 |
| ORB.ENERGY,a.u. | -.186670 | ||
| NORM | 1.000000 | < R > | 9.418677 | < R2 > | 103.251191 | < 1/R > | .128372 | < 1/R**2 > | .021485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.093442 | .26329255 |
| 2 | 2p | 1.082713 | -.86422052 |
| 3 | 3p | 1.986597 | -.29494775 |
| 4 | 2p | 8.105562 | .08602721 |
| 5 | 4p | 1.202864 | .10814367 |
| 6 | 3p | 12.337930 | -.00457687 |
| 7 | 4p | 30.381316 | -.00013275 |
| 8 | 5p | .546069 | .00099917 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.135210 | < R2 > | 5.315820 | < 1/R > | .617644 | < 1/R**2 > | .840956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.378131 | -.17698232 |
| 2 | 1s | 10.695169 | .17066011 |
| 3 | 1s | 39.835018 | .00025783 |
| 4 | 2s | 4.735244 | -.24388487 |
| 5 | 3s | 1.912736 | .84250937 |
| 6 | 4s | 3.421259 | .19290373 |
| 7 | 3s | 29.314555 | -.00054890 |
| 8 | 5s | 1.703402 | .06395433 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.849407 | < R2 > | 3.943101 | < 1/R > | .724589 | < 1/R**2 > | 2.966537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372422 | .42813382 |
| 2 | 3p | 6.500499 | .49497907 |
| 3 | 2p | 20.148587 | .00249408 |
| 4 | 4p | 5.240426 | .18068543 |
| 5 | 5p | 4.034416 | .01286079 |
| 6 | 3p | 38.412739 | .00006545 |
| 7 | 4p | 81.097589 | -.00000234 |
| 8 | 3p | 1.592256 | .00091284 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483343 | < R2 > | .291749 | < 1/R > | 2.706661 | < 1/R**2 > | 10.286836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195133 | .35986067 |
| 2 | 2s | 5.443150 | -.77706667 |
| 3 | 3s | 4.833745 | -.17199725 |
| 4 | 4s | 24.125479 | .00196977 |
| 5 | 2s | 6.742624 | -.17620654 |
| 6 | 3s | 15.346665 | .00875466 |
| 7 | 5s | 3.657898 | -.00233559 |
| 8 | 5s | 1.485881 | -.00007408 |
| 9 | 5s | 46.494127 | .00002603 |
| 10 | 2s | 92.627800 | .00000086 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515308 | < R2 > | .315428 | < 1/R > | 2.833521 | < 1/R**2 > | 33.095676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.420902 | -.00021664 |
| 2 | 1s | 14.570410 | 1.01425937 |
| 3 | 2s | 21.105435 | -.02188145 |
| 4 | 3s | 11.321560 | .01689844 |
| 5 | 4s | 20.113063 | -.00094958 |
| 6 | 5s | 17.686918 | .00342808 |
| 7 | 5s | 62.445849 | -.00003187 |
| 8 | 4s | 12.074533 | -.00660210 |
| 9 | 2s | 54.221297 | .00013075 |
| 10 | 3s | 7.509377 | .00141315 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573878 | < 1/R**2 > | 428.621057 |
Total Energy= -340.40963527 a.u.
Kinetic Energy= 340.40947643 a.u.
Potential Energy= -680.81911170 a.u.
Virial Ratio = -2.00000047