(1s 2 2s 2 2p 3 ) 4 S N 0
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 | 1.516671 | .64793664 |
| 2 | 2p | 2.914084 | .30977226 |
| 3 | 2p | 6.416668 | .02155005 |
| 4 | 3p | 1.007366 | .08109683 |
| 5 | 4p | 3.107067 | .03526268 |
| 6 | 4p | 6.110173 | .01050050 |
| 7 | 5p | 15.765733 | -.00016287 |
| 8 | 5p | 1.120432 | -.02003108 |
| ORB.ENERGY,a.u. | -.512690 | ||
| NORM | 1.000000 | < R > | 1.409633 | < R2 > | 2.547663 | < 1/R > | .957690 | < 1/R**2 > | 1.336282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.861872 | .27275109 |
| 2 | 2s | 2.447463 | -.81671716 |
| 3 | 3s | 1.721981 | -.26645202 |
| 4 | 4s | 7.296191 | .02088577 |
| 5 | 3s | 8.515449 | .01459101 |
| 6 | 5s | 2.873984 | -.05922048 |
| 7 | 5s | 13.747022 | .00131793 |
| 8 | 3s | .931118 | -.00120524 |
| 9 | 4s | 33.969187 | -.00004706 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.332278 | < R2 > | 2.149440 | < 1/R > | 1.078176 | < 1/R**2 > | 4.753637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.228434 | .71799642 |
| 2 | 1s | 9.309861 | .22474517 |
| 3 | 1s | 2.446660 | .00538830 |
| 4 | 2s | 6.901536 | .08382116 |
| 5 | 3s | 7.854011 | -.02155191 |
| 6 | 4s | 12.765618 | .00682319 |
| 7 | 5s | 28.946600 | .00014617 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228297 | < R2 > | .070265 | < 1/R > | 6.653236 | < 1/R**2 > | 89.841958 |
Total Energy= -54.40093397 a.u.
Kinetic Energy= 54.40093410 a.u.
Potential Energy= -108.80186807 a.u.
Virial Ratio = -2.00000000