(1s 2 2s 2 2p 5 4d 1 ) 3 F P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 1.845032 | 1.10922532 |
| 2 | 4d | 1.516420 | -1.65150402 |
| 3 | 3d | 5.927645 | .03884965 |
| 4 | 4d | 4.208221 | .04266364 |
| 5 | 5d | 9.542074 | -.00059646 |
| 6 | 4d | 1.132050 | .00802374 |
| 7 | 4d | 38.121591 | .00001351 |
| ORB.ENERGY,a.u. | -1.179100 | ||
| NORM | 1.000000 | < R > | 3.295535 | < R2 > | 12.497667 | < 1/R > | .410752 | < 1/R**2 > | .290777 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.849542 | 1.22856880 |
| 2 | 3p | 5.718297 | -.30796828 |
| 3 | 2p | 11.284605 | .07632745 |
| 4 | 4p | 13.550714 | .01370516 |
| 5 | 5p | 4.437476 | .00074694 |
| 6 | 3p | 41.472542 | .00003680 |
| 7 | 4p | 1.311401 | -.00012442 |
| ORB.ENERGY,a.u. | -9.190900 | ||
| NORM | 1.000000 | < R > | .459579 | < R2 > | .260952 | < 1/R > | 2.816510 | < 1/R**2 > | 11.023552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.138803 | .37220978 |
| 2 | 2s | 6.146055 | -.83417724 |
| 3 | 3s | 5.426468 | -.30275490 |
| 4 | 4s | 2.704436 | .00023884 |
| 5 | 4s | 18.575918 | .00417593 |
| 6 | 3s | 17.358578 | .00672745 |
| 7 | 5s | 36.734037 | .00041072 |
| 8 | 5s | 4.924087 | -.00301873 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501522 | < R2 > | .297369 | < 1/R > | 2.910732 | < 1/R**2 > | 34.778806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92330301 |
| 2 | 1s | 20.990030 | .07298968 |
| 3 | 2s | 8.546271 | .02100136 |
| 4 | 3s | 10.659257 | -.02130000 |
| 5 | 4s | 13.406109 | .01067332 |
| 6 | 5s | 35.759895 | .00080076 |
| 7 | 4s | 81.263178 | -.00003926 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103670 | < R2 > | .014442 | < 1/R > | 14.585342 | < 1/R**2 > | 429.142547 |
Total Energy= -327.49061428 a.u.
Kinetic Energy= 327.49540725 a.u.
Potential Energy= -654.98602153 a.u.
Virial Ratio = -1.99998536