(1s 2 2s 2 2p 1 4p 1 ) 3 S Cl 11+
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 | 7.556135 | .33997099 |
| 2 | 3p | 3.415770 | -.88200468 |
| 3 | 5p | 3.419108 | 1.38143389 |
| 4 | 4p | 4.851659 | -.37533829 |
| 5 | 5p | 9.500156 | .04048986 |
| 6 | 4p | 23.840717 | -.00253845 |
| 7 | 5p | 2.984724 | .22834322 |
| 8 | 5p | 53.026551 | -.00025822 |
| 9 | 4p | 81.203798 | -.00005267 |
| ORB.ENERGY,a.u. | -4.812800 | ||
| NORM | 1.000000 | < R > | 1.794542 | < R2 > | 3.644537 | < 1/R > | .792104 | < 1/R**2 > | 1.733557 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.148375 | 1.09429887 |
| 2 | 3p | 8.918754 | -.11521378 |
| 3 | 2p | 16.800939 | .01180436 |
| 4 | 5p | 23.421292 | .00296365 |
| 5 | 5p | 15.443395 | .00878585 |
| 6 | 4p | 2.640497 | -.00010560 |
| ORB.ENERGY,a.u. | -23.375000 | ||
| NORM | 1.000000 | < R > | .341778 | < R2 > | .141250 | < 1/R > | 3.693207 | < 1/R**2 > | 18.421863 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.554755 | .38534712 |
| 2 | 2s | 6.583310 | -.81422872 |
| 3 | 3s | 9.421786 | -.28552189 |
| 4 | 4s | 31.344105 | .00139498 |
| 5 | 5s | 18.114920 | -.00837638 |
| 6 | 5s | 7.202640 | .01511343 |
| 7 | 4s | 3.154500 | .00021769 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396449 | < R2 > | .183820 | < 1/R > | 3.708896 | < 1/R**2 > | 55.599212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.191968 | .93692666 |
| 2 | 1s | 24.934782 | .06031256 |
| 3 | 2s | 14.927503 | .02016034 |
| 4 | 3s | 18.333147 | -.01496754 |
| 5 | 4s | 83.658674 | -.00006210 |
| 6 | 5s | 38.589852 | .00069245 |
| 7 | 4s | 4.732473 | .00001290 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090564 | < R2 > | .010982 | < 1/R > | 16.644812 | < 1/R**2 > | 557.397144 |
Total Energy= -364.22801488 a.u.
Kinetic Energy= 364.23028816 a.u.
Potential Energy= -728.45830304 a.u.
Virial Ratio = -1.99999376