(1s 2 2s 2 2p 3 4p 1 ) 3 P S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 7.993543 | .18448465 |
| 2 | 3p | 1.929853 | 2.45463955 |
| 3 | 4p | 3.443799 | -1.89416955 |
| 4 | 5p | 6.077248 | -.17904144 |
| 5 | 3p | 19.225771 | -.00119286 |
| 6 | 5p | 1.866053 | -.20665685 |
| 7 | 4p | 1.287840 | .04048244 |
| 8 | 5p | 112.369369 | .00000304 |
| 9 | 4p | 41.039844 | .00004355 |
| 10 | 3p | .906661 | -.00949017 |
| ORB.ENERGY,a.u. | -2.822500 | ||
| NORM | .999999 | < R > | 2.295319 | < R2 > | 5.953370 | < 1/R > | .604048 | < 1/R**2 > | .985770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.287796 | 1.28517926 |
| 2 | 3p | 8.173891 | -.34721381 |
| 3 | 4p | 10.249402 | .06062826 |
| 4 | 5p | 2.506805 | .02853439 |
| 5 | 4p | 26.177001 | -.00166113 |
| 6 | 4p | 2.223885 | -.01988087 |
| 7 | 3p | 31.889805 | -.00032162 |
| ORB.ENERGY,a.u. | -15.830000 | ||
| NORM | 1.000000 | < R > | .389149 | < R2 > | .184713 | < 1/R > | 3.270475 | < 1/R**2 > | 14.585540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.649607 | .41079622 |
| 2 | 2s | 6.884977 | -.86230798 |
| 3 | 3s | 6.627836 | -.28928525 |
| 4 | 4s | 27.221621 | .00196904 |
| 5 | 3s | 14.658848 | .01699377 |
| 6 | 5s | 6.711638 | -.01353149 |
| 7 | 4s | 2.287682 | .00017932 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .443143 | < R2 > | .230644 | < 1/R > | 3.304731 | < 1/R**2 > | 44.481363 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.175595 | .93717392 |
| 2 | 1s | 23.608677 | .06078542 |
| 3 | 2s | 13.636821 | .01850808 |
| 4 | 3s | 19.159989 | -.01478210 |
| 5 | 4s | 29.385190 | .00271866 |
| 6 | 5s | 55.168738 | .00008577 |
| 7 | 5s | 11.694634 | .00055277 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096744 | < R2 > | .012556 | < 1/R > | 15.607468 | < 1/R**2 > | 490.798008 |
Total Energy= -354.25559816 a.u.
Kinetic Energy= 354.22473470 a.u.
Potential Energy= -708.48033285 a.u.
Virial Ratio = -2.00008713