(1s 2 2s 2 2p 3 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 6.100030 | 1.18323573 |
| 2 | 3p | 7.559712 | -.20646767 |
| 3 | 2p | 14.771198 | .02152247 |
| 4 | 4p | 16.997747 | .00438087 |
| 5 | 5p | 35.670882 | -.00024476 |
| 6 | 5p | 5.050776 | .00315186 |
| 7 | 4p | 3.708316 | -.00098337 |
| ORB.ENERGY,a.u. | -15.825000 | ||
| NORM | 1.000000 | < R > | .392793 | < R2 > | .188243 | < 1/R > | 3.248360 | < 1/R**2 > | 14.431842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.709056 | .40868298 |
| 2 | 2s | 6.859116 | -.85662533 |
| 3 | 3s | 6.750593 | -.28483090 |
| 4 | 4s | 27.034913 | .00203713 |
| 5 | 3s | 14.996386 | .01460437 |
| 6 | 5s | 6.830934 | -.01880261 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .442351 | < R2 > | .229772 | < 1/R > | 3.310914 | < 1/R**2 > | 44.635250 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.098070 | .93075389 |
| 2 | 1s | 23.596158 | .06787832 |
| 3 | 2s | 14.919785 | .01993838 |
| 4 | 3s | 18.999699 | -.01486394 |
| 5 | 5s | 36.726178 | .00101523 |
| 6 | 4s | 22.925430 | -.00102651 |
| 7 | 5s | 12.675710 | .00098984 |
| 8 | 3s | 59.174148 | -.00009760 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096726 | < R2 > | .012550 | < 1/R > | 15.609412 | < 1/R**2 > | 490.893928 |
Total Energy= -351.40089133 a.u.
Kinetic Energy= 350.74157379 a.u.
Potential Energy= -702.14246512 a.u.
Virial Ratio = -2.00187978