(1s 2 2s 2 2p 2 5p 1 ) 4 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 1.936563 | .15312614 |
| 2 | 3p | .971409 | -1.38613137 |
| 3 | 4p | .739304 | 3.47661348 |
| 4 | 5p | .652568 | -2.90252604 |
| 5 | 2p | 4.810290 | .02851938 |
| 6 | 5p | 1.710288 | .01776007 |
| 7 | 3p | 8.089146 | -.00222560 |
| ORB.ENERGY,a.u. | -.212430 | ||
| NORM | 1.000009 | < R > | 10.312414 | < R2 > | 119.432607 | < 1/R > | .131606 | < 1/R**2 > | .048485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.749880 | .22286948 |
| 2 | 2p | 10.648287 | .00650102 |
| 3 | 4p | .723027 | -.07410639 |
| 4 | 5p | .917917 | .11278098 |
| 5 | 4p | 4.963304 | .01899031 |
| 6 | 5p | 16.973981 | -.00025048 |
| 7 | 3p | .469420 | -.04075878 |
| 8 | 4p | 17.301848 | -.00030139 |
| 9 | 2p | 2.747962 | .78724737 |
| ORB.ENERGY,a.u. | -3.039000 | ||
| NORM | 1.000000 | < R > | .818653 | < R2 > | .866601 | < 1/R > | 1.580562 | < 1/R**2 > | 3.463444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.434906 | .33347362 |
| 2 | 2s | 3.414994 | -.85291395 |
| 3 | 3s | 3.072085 | -.26058715 |
| 4 | 4s | 10.733216 | .01727991 |
| 5 | 3s | 12.509774 | .00709963 |
| 6 | 5s | 3.154040 | -.00810269 |
| 7 | 5s | 21.247080 | .00077119 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880794 | < R2 > | .917009 | < 1/R > | 1.636479 | < 1/R**2 > | 10.904058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278702 | .68783182 |
| 2 | 1s | 12.188542 | .22282798 |
| 3 | 1s | 2.705308 | .00562899 |
| 4 | 2s | 9.055970 | .12780422 |
| 5 | 3s | 10.148146 | -.02748777 |
| 6 | 4s | 16.996476 | .00345064 |
| 7 | 5s | 4.825583 | -.00124957 |
| 8 | 5s | 54.586010 | -.00002818 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175231 | < R2 > | .041300 | < 1/R > | 8.645247 | < 1/R**2 > | 151.224068 |
Total Energy= -95.53245800 a.u.
Kinetic Energy= 95.53202006 a.u.
Potential Energy= -191.06447806 a.u.
Virial Ratio = -2.00000458