(1s 2 2s 2 2p 1 3s 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 12.294813 | .21731377 |
| 2 | 2s | 4.648718 | -1.28364496 |
| 3 | 3s | 4.035545 | 1.83132064 |
| 4 | 4s | 9.900673 | -.04658990 |
| 5 | 5s | 17.907496 | -.00764948 |
| 6 | 5s | 3.083002 | .00750493 |
| 7 | 4s | 2.651435 | -.00673783 |
| 8 | 4s | 65.515221 | -.00003046 |
| 9 | 2s | 36.102473 | -.00005177 |
| ORB.ENERGY,a.u. | -7.949400 | ||
| NORM | 1.000000 | < R > | 1.049054 | < R2 > | 1.247635 | < 1/R > | 1.379840 | < 1/R**2 > | 11.501167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.662035 | 1.07630993 |
| 2 | 3p | 8.096476 | -.09118321 |
| 3 | 2p | 16.120574 | .01288061 |
| 4 | 5p | 18.550583 | .00135279 |
| 5 | 4p | 31.230985 | -.00049556 |
| 6 | 5p | 6.519421 | .00736142 |
| 7 | 5p | 96.305131 | -.00000749 |
| 8 | 4p | 5.909090 | -.00051058 |
| ORB.ENERGY,a.u. | -19.632000 | ||
| NORM | 1.000000 | < R > | .368719 | < R2 > | .164604 | < 1/R > | 3.427646 | < 1/R**2 > | 15.890641 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.000713 | .36852122 |
| 2 | 2s | 5.813240 | -.82161045 |
| 3 | 3s | 8.874715 | -.31037889 |
| 4 | 4s | 6.551734 | .07072073 |
| 5 | 5s | 18.031125 | -.01101445 |
| 6 | 5s | 4.228297 | -.00200734 |
| 7 | 3s | 16.360255 | -.00040234 |
| 8 | 5s | 42.200724 | .00031126 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425831 | < R2 > | .212460 | < 1/R > | 3.451205 | < 1/R**2 > | 48.200889 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.184541 | .92141515 |
| 2 | 1s | 21.862308 | .07819381 |
| 3 | 2s | 7.155400 | .03085094 |
| 4 | 3s | 12.490434 | -.01650196 |
| 5 | 4s | 9.239892 | -.01390778 |
| 6 | 5s | 39.851355 | .00090537 |
| 7 | 5s | 3.246810 | .00005870 |
| 8 | 3s | 68.862286 | -.00004585 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096369 | < R2 > | .012438 | < 1/R > | 15.646359 | < 1/R**2 > | 492.693526 |
Total Energy= -324.29262584 a.u.
Kinetic Energy= 324.31175627 a.u.
Potential Energy= -648.60438210 a.u.
Virial Ratio = -1.99994101