(1s 2 2s 2 2p 1 4p 1 ) 3 S Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | 4.997476 | .23288021 |
| 2 | 3p | 1.341089 | -.47959749 |
| 3 | 5p | 1.777225 | 1.13372452 |
| 4 | 4p | 2.616420 | -.69516942 |
| 5 | 5p | 6.363597 | .02460418 |
| 6 | 4p | 15.610797 | -.00275273 |
| 7 | 5p | 1.576772 | .49477698 |
| 8 | 5p | 36.150080 | -.00024309 |
| 9 | 4p | 56.877002 | -.00004567 |
| ORB.ENERGY,a.u. | -1.262300 | ||
| NORM | 1.000000 | < R > | 3.416524 | < R2 > | 13.193608 | < 1/R > | .411453 | < 1/R**2 > | .476294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.117460 | 1.10211279 |
| 2 | 3p | 4.922358 | -.13519797 |
| 3 | 2p | 9.554396 | .03087087 |
| 4 | 5p | 11.359834 | .00665416 |
| 5 | 4p | 23.006042 | -.00071337 |
| 6 | 5p | 73.017575 | -.00001442 |
| 7 | 4p | 3.390349 | .00720596 |
| 8 | 3p | 2.335622 | -.00333725 |
| ORB.ENERGY,a.u. | -7.270000 | ||
| NORM | 1.000000 | < R > | .582880 | < R2 > | .413029 | < 1/R > | 2.180305 | < 1/R**2 > | 6.477999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.714648 | .33569587 |
| 2 | 2s | 3.816423 | -.79338139 |
| 3 | 3s | 5.826500 | -.27568140 |
| 4 | 4s | 20.599115 | .00180905 |
| 5 | 5s | 11.416159 | -.01467984 |
| 6 | 5s | 4.294026 | .01961004 |
| 7 | 4s | 1.710662 | .00033803 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658180 | < R2 > | .508082 | < 1/R > | 2.208736 | < 1/R**2 > | 19.768689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213119 | .92171263 |
| 2 | 1s | 16.004216 | .08105251 |
| 3 | 2s | 8.744878 | .01669813 |
| 4 | 3s | 11.357282 | -.01627243 |
| 5 | 4s | 54.194318 | -.00008585 |
| 6 | 5s | 25.191175 | .00101744 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141877 | < R2 > | .027010 | < 1/R > | 10.652187 | < 1/R**2 > | 229.001349 |
Total Energy= -143.70670716 a.u.
Kinetic Energy= 143.70826748 a.u.
Potential Energy= -287.41497464 a.u.
Virial Ratio = -1.99998914