(1s 2 2s 2 2p 6 4p 1 ) 2 P S 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 3p | 19.469675 | -.00036482 |
| 2 | 2p | 5.940986 | .28838110 |
| 3 | 3p | 8.907657 | -.05814251 |
| 4 | 4p | 2.966982 | -.69680336 |
| 5 | 5p | 1.853043 | 1.13706188 |
| 6 | 5p | 9.934389 | -.01642215 |
| 7 | 3p | 3.732826 | -.11981719 |
| 8 | 2p | 1.066059 | .09279662 |
| ORB.ENERGY,a.u. | -1.400700 | ||
| NORM | 1.000000 | < R > | 3.074207 | < R2 > | 10.688992 | < 1/R > | .455895 | < 1/R**2 > | .625803 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.744343 | .46309354 |
| 2 | 3p | 6.943752 | .47353242 |
| 3 | 5p | 5.457093 | .02254387 |
| 4 | 4p | 5.981839 | .14577288 |
| 5 | 2p | 16.693737 | .00607075 |
| 6 | 5p | 33.392947 | -.00030024 |
| 7 | 3p | 6.324709 | -.00482469 |
| 8 | 3p | 51.723202 | .00006793 |
| 9 | 2p | 63.192365 | .00002157 |
| 10 | 5p | 1.509346 | -.00009149 |
| ORB.ENERGY,a.u. | -9.498700 | ||
| NORM | 1.000000 | < R > | .436280 | < R2 > | .235923 | < 1/R > | 2.977543 | < 1/R**2 > | 12.365320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.989914 | .36866368 |
| 2 | 2s | 6.439119 | -.86009038 |
| 3 | 3s | 5.578879 | -.27526134 |
| 4 | 4s | 25.447198 | .00125867 |
| 5 | 3s | 17.344393 | .00843693 |
| 6 | 5s | 5.492712 | .00055566 |
| 7 | 2s | 59.744233 | .00001914 |
| 8 | 4s | 2.121962 | .00035319 |
| 9 | 3s | 2.585054 | -.00063653 |
| ORB.ENERGY,a.u. | -11.839000 | ||
| NORM | 1.000000 | < R > | .473375 | < R2 > | .265339 | < 1/R > | 3.086569 | < 1/R**2 > | 39.199133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.574789 | 1.01262478 |
| 2 | 2s | 20.348266 | -.02161395 |
| 3 | 3s | 13.972079 | .01638383 |
| 4 | 4s | 54.547507 | -.00069893 |
| 5 | 4s | 6.514734 | .00237871 |
| 6 | 5s | 66.676312 | .00021848 |
| 7 | 5s | 7.148483 | -.00167552 |
| 8 | 2s | 31.925050 | -.00094589 |
| 9 | 3s | 93.045586 | -.00003302 |
| ORB.ENERGY,a.u. | -94.523000 |
| NORM | 1.000000 | < R > | .097127 | < R2 > | .012679 | < 1/R > | 15.569001 | < 1/R**2 > | 488.935624 |
Total Energy= -388.96456146 a.u.
Kinetic Energy= 388.96455037 a.u.
Potential Energy= -777.92911182 a.u.
Virial Ratio = -2.00000003