(1s 2 2s 2 5s 1 ) 2 S P 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 11.355752 | .10152069 |
| 2 | 2s | 2.555195 | -2.35894532 |
| 3 | 3s | 2.509526 | 8.90601326 |
| 4 | 4s | 2.541649 | -10.30968499 |
| 5 | 5s | 2.245451 | 4.22199338 |
| 6 | 5s | 10.536067 | .04544168 |
| 7 | 4s | 8.680987 | -.11131886 |
| 8 | 5s | 1.705593 | -.01328183 |
| 9 | 4s | 50.406224 | -.00003575 |
| ORB.ENERGY,a.u. | -2.607800 | ||
| NORM | .999999 | < R > | 3.173129 | < R2 > | 11.268760 | < 1/R > | .461438 | < 1/R**2 > | 2.110711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.564001 | .39985964 |
| 2 | 2s | 6.233442 | -.77337975 |
| 3 | 3s | 7.727820 | -.31810981 |
| 4 | 5s | 14.726399 | -.01745839 |
| 5 | 4s | 30.057567 | .00237906 |
| 6 | 5s | 7.236457 | -.00588305 |
| 7 | 5s | 44.464434 | -.00037706 |
| 8 | 4s | 2.460414 | .00115351 |
| 9 | 3s | 1.883951 | -.00115157 |
| ORB.ENERGY,a.u. | -20.080000 | ||
| NORM | 1.000000 | < R > | .446211 | < R2 > | .232553 | < 1/R > | 3.292106 | < 1/R**2 > | 43.662888 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.186104 | .93949042 |
| 2 | 1s | 22.875551 | .05979723 |
| 3 | 2s | 15.389373 | .01962546 |
| 4 | 3s | 17.758300 | -.01644525 |
| 5 | 5s | 35.315830 | .00102316 |
| 6 | 4s | 84.155507 | -.00003890 |
| 7 | 5s | 18.242021 | -.00139513 |
| ORB.ENERGY,a.u. | -97.530000 |
| NORM | 1.000000 | < R > | .102729 | < R2 > | .014124 | < 1/R > | 14.670456 | < 1/R**2 > | 433.030485 |
Total Energy= -261.10398488 a.u.
Kinetic Energy= 261.10397711 a.u.
Potential Energy= -522.20796199 a.u.
Virial Ratio = -2.00000003