(1s 2 2s 2 2p 3 ) 4 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 3.089516 | .79370417 |
| 2 | 2p | 5.282119 | .20935478 |
| 3 | 2p | 11.265732 | .00844457 |
| 4 | 3p | 2.098253 | .04055275 |
| 5 | 4p | 1.811050 | -.01909051 |
| 6 | 5p | 24.565930 | -.00019622 |
| 7 | 5p | 1.789167 | .00669597 |
| ORB.ENERGY,a.u. | -3.560600 | ||
| NORM | 1.000000 | < R > | .742732 | < R2 > | .681888 | < 1/R > | 1.745071 | < 1/R**2 > | 4.245690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.228442 | .33565795 |
| 2 | 2s | 3.854189 | -.83404660 |
| 3 | 5s | 29.733579 | .00011562 |
| 4 | 3s | 3.290794 | -.28844508 |
| 5 | 4s | 15.418202 | .00293863 |
| 6 | 3s | 9.752538 | .01880440 |
| 7 | 5s | 5.323920 | -.00425202 |
| 8 | 5s | 9.465491 | -.00172352 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .797171 | < R2 > | .753189 | < 1/R > | 1.813421 | < 1/R**2 > | 13.450564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.698330 | .61478930 |
| 2 | 1s | 13.289842 | .30099182 |
| 3 | 1s | 4.603816 | .00589485 |
| 4 | 2s | 10.382036 | .13496288 |
| 5 | 3s | 10.890060 | -.04337840 |
| 6 | 4s | 17.249266 | .00304611 |
| 7 | 5s | 28.148367 | .00048626 |
| 8 | 5s | 5.301988 | .00021023 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157274 | < R2 > | .033274 | < 1/R > | 9.630737 | < 1/R**2 > | 187.566583 |
Total Energy= -124.10421540 a.u.
Kinetic Energy= 124.10422283 a.u.
Potential Energy= -248.20843823 a.u.
Virial Ratio = -1.99999994