(1s 2 2s 1 5s 1 ) 1 S C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 3.205455 | .03110633 |
| 2 | 2s | .564010 | -3.57782292 |
| 3 | 3s | .790333 | 6.48488234 |
| 4 | 4s | .662566 | -7.44735544 |
| 5 | 5s | .656071 | 6.14519274 |
| 6 | 5s | 1.105141 | -.66437008 |
| 7 | 1s | 6.408266 | .01428005 |
| 8 | 3s | 9.098162 | .00300784 |
| 9 | 4s | 13.586726 | -.00067281 |
| 10 | 2s | 21.522316 | .00007192 |
| ORB.ENERGY,a.u. | -.207060 | ||
| NORM | 1.000003 | < R > | 10.874019 | < R2 > | 132.204113 | < 1/R > | .121914 | < 1/R**2 > | .075562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.819618 | .26860333 |
| 2 | 2s | 1.314872 | -.58498152 |
| 3 | 3s | 2.959760 | -.64924537 |
| 4 | 4s | 1.614957 | .29512909 |
| 5 | 5s | .566496 | .58110901 |
| 6 | 5s | 6.621450 | -.02030990 |
| 7 | 4s | .488047 | -.65683133 |
| 8 | 3s | 22.061622 | -.00013923 |
| 9 | 3s | .361943 | .09159502 |
| 10 | 4s | 40.801550 | .00002228 |
| 11 | 5s | .198320 | -.00035823 |
| ORB.ENERGY,a.u. | -2.232300 | ||
| NORM | 1.000000 | < R > | 1.290740 | < R2 > | 2.194224 | < 1/R > | 1.126045 | < 1/R**2 > | 5.107960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.265287 | .88811540 |
| 2 | 1s | 8.771150 | .12090187 |
| 3 | 2s | 5.447721 | .02033806 |
| 4 | 3s | 7.694149 | -.01957370 |
| 5 | 4s | 12.063013 | .00425079 |
| 6 | 5s | 7.382739 | -.00978495 |
| 7 | 4s | 2.660325 | .00070428 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267349 | < R2 > | .096232 | < 1/R > | 5.679126 | < 1/R**2 > | 65.496585 |
Total Energy= -34.93540030 a.u.
Kinetic Energy= 34.93308812 a.u.
Potential Energy= -69.86848842 a.u.
Virial Ratio = -2.00006619