(1s 2 2s 2 2p 2 3p 1 ) 4 S N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3p- electron | |
| 1 | 3p | .582442 | -.75461012 |
| 2 | 2p | 1.282656 | .10507091 |
| 3 | 2p | 3.802576 | .01795198 |
| 4 | 4p | .498425 | -.30862028 |
| 5 | 5p | 4.863744 | .00432736 |
| 6 | 4p | 12.351330 | -.00027698 |
| ORB.ENERGY,a.u. | -.098323 | ||
| NORM | 1.000000 | < R > | 6.982630 | < R2 > | 55.521259 | < 1/R > | .167044 | < 1/R**2 > | .037816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.775009 | .74484357 |
| 2 | 2p | 3.088609 | .26561290 |
| 3 | 2p | 7.073750 | .01611921 |
| 4 | 4p | .868700 | -.03510630 |
| 5 | 3p | 1.245288 | .03350351 |
| 6 | 4p | 7.333139 | .00403606 |
| 7 | 5p | 13.856912 | -.00042825 |
| 8 | 5p | .601390 | -.02200472 |
| ORB.ENERGY,a.u. | -.842360 | ||
| NORM | 1.000000 | < R > | 1.238885 | < R2 > | 1.966027 | < 1/R > | 1.060468 | < 1/R**2 > | 1.590386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.866949 | .28814427 |
| 2 | 2s | 2.484424 | -.82972338 |
| 3 | 3s | 1.965342 | -.26681665 |
| 4 | 4s | 7.935843 | .02270094 |
| 5 | 3s | 9.268586 | .01043180 |
| 6 | 5s | 3.046155 | -.02643227 |
| 7 | 5s | 16.047718 | .00096121 |
| 8 | 3s | .777663 | -.00045709 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.254437 | < R2 > | 1.879578 | < 1/R > | 1.139450 | < 1/R**2 > | 5.274621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229741 | .71792820 |
| 2 | 1s | 9.302594 | .22513375 |
| 3 | 1s | 2.667747 | .00495013 |
| 4 | 2s | 6.905459 | .08335329 |
| 5 | 3s | 7.778262 | -.02158004 |
| 6 | 4s | 12.679203 | .00688535 |
| 7 | 5s | 28.023827 | .00017158 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228095 | < R2 > | .070102 | < 1/R > | 6.656534 | < 1/R**2 > | 89.907045 |
Total Energy= -53.98318559 a.u.
Kinetic Energy= 53.98632324 a.u.
Potential Energy= -107.96950883 a.u.
Virial Ratio = -1.99994188