(1s 2 2s 2 2p 1 5s 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 12.150152 | .09658898 |
| 2 | 2s | 3.893161 | -.91292024 |
| 3 | 3s | 2.936738 | 3.64578739 |
| 4 | 4s | 2.406500 | -7.49941908 |
| 5 | 5s | 2.308084 | 5.35582773 |
| 6 | 5s | 17.926249 | -.00430589 |
| 7 | 4s | 9.410712 | -.02494382 |
| ORB.ENERGY,a.u. | -2.659900 | ||
| NORM | .999997 | < R > | 3.112459 | < R2 > | 10.841423 | < 1/R > | .469430 | < 1/R**2 > | 2.203270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.674933 | 1.07516237 |
| 2 | 3p | 8.126621 | -.08950619 |
| 3 | 2p | 16.389330 | .01252746 |
| 4 | 5p | 20.212116 | .00197546 |
| 5 | 4p | 31.185695 | -.00017491 |
| 6 | 5p | 7.329931 | .00441728 |
| 7 | 5p | 56.236065 | -.00000360 |
| ORB.ENERGY,a.u. | -20.301000 | ||
| NORM | 1.000000 | < R > | .367467 | < R2 > | .163340 | < 1/R > | 3.437042 | < 1/R**2 > | 15.970006 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.561006 | .38781770 |
| 2 | 2s | 6.351751 | -.80406915 |
| 3 | 3s | 8.436095 | -.28612097 |
| 4 | 4s | 30.569257 | .00120744 |
| 5 | 5s | 16.870669 | -.01218294 |
| 6 | 5s | 3.402139 | .00247475 |
| 7 | 3s | 1.513252 | -.00201502 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424072 | < R2 > | .210363 | < 1/R > | 3.463162 | < 1/R**2 > | 48.488811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.170281 | .93610089 |
| 2 | 1s | 23.714733 | .06240304 |
| 3 | 2s | 14.823497 | .01949839 |
| 4 | 3s | 17.926589 | -.01595502 |
| 5 | 4s | 85.088410 | -.00004674 |
| 6 | 5s | 36.844666 | .00092273 |
| 7 | 5s | 10.835105 | .00012954 |
| 8 | 4s | 2.428400 | -.00079507 |
| 9 | 3s | 1.792196 | .00080876 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096362 | < R2 > | .012436 | < 1/R > | 15.647266 | < 1/R**2 > | 492.744607 |
Total Energy= -319.03656230 a.u.
Kinetic Energy= 319.03935817 a.u.
Potential Energy= -638.07592046 a.u.
Virial Ratio = -1.99999124