(1s 2 2s 2 2p 3 3p 1 ) 3 P O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2p | 2.287488 | .18764426 |
| 2 | 2p | .867460 | -.28670704 |
| 3 | 3p | 3.281046 | -.05603335 |
| 4 | 5p | .444567 | .36298240 |
| 5 | 4p | .532474 | .73610976 |
| 6 | 5p | 5.287955 | .00709886 |
| 7 | 4p | 11.961527 | -.00059373 |
| 8 | 3p | 56.662009 | .00000461 |
| ORB.ENERGY,a.u. | -.062235 | ||
| NORM | 1.000000 | < R > | 10.030166 | < R2 > | 111.488891 | < 1/R > | .116380 | < 1/R**2 > | .026899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.023636 | .72789516 |
| 2 | 2p | 3.480295 | .27997905 |
| 3 | 2p | 8.425152 | .01745892 |
| 4 | 3p | 2.145116 | -.01497349 |
| 5 | 4p | 1.883652 | .03637862 |
| 6 | 5p | 9.292276 | .00309433 |
| 7 | 3p | 7.002049 | .01182988 |
| 8 | 5p | .671468 | -.00185742 |
| ORB.ENERGY,a.u. | -.982740 | ||
| NORM | 1.000000 | < R > | 1.077823 | < R2 > | 1.459795 | < 1/R > | 1.225617 | < 1/R**2 > | 2.139828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.733620 | .29213927 |
| 2 | 2s | 2.835543 | -.83389561 |
| 3 | 3s | 2.146664 | -.30336680 |
| 4 | 3s | 9.189360 | .01514462 |
| 5 | 4s | 9.536188 | .00773272 |
| 6 | 5s | 2.193091 | .03429607 |
| 7 | 5s | 37.343372 | -.00005700 |
| 8 | 4s | 1.528976 | -.01708084 |
| 9 | 3s | 1.155761 | .00788821 |
| 10 | 2s | 57.261124 | .00000477 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089421 | < R2 > | 1.421621 | < 1/R > | 1.319648 | < 1/R**2 > | 7.124980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128408 | .84550304 |
| 2 | 1s | 10.485084 | .16172049 |
| 3 | 2s | 6.674951 | -.00600541 |
| 4 | 3s | 4.704382 | .00356558 |
| 5 | 4s | 15.331255 | .00444227 |
| 6 | 5s | 2.450638 | .00009789 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198488 | < R2 > | .053073 | < 1/R > | 7.644299 | < 1/R**2 > | 118.430292 |
Total Energy= -74.43616098 a.u.
Kinetic Energy= 74.43519575 a.u.
Potential Energy= -148.87135673 a.u.
Virial Ratio = -2.00001297