(1s 2 2s 2 2p 3 5p 1 ) 3 P Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 4.479281 | .34767473 |
| 2 | 3p | 2.468938 | -3.09490400 |
| 3 | 4p | 2.240402 | 6.45469928 |
| 4 | 5p | 2.076082 | -4.28566072 |
| 5 | 2p | 10.333403 | .04305595 |
| 6 | 5p | 36.158395 | -.00024705 |
| 7 | 4p | 52.368572 | -.00005679 |
| ORB.ENERGY,a.u. | -2.164100 | ||
| NORM | .999995 | < R > | 3.375415 | < R2 > | 12.813026 | < 1/R > | .423061 | < 1/R**2 > | .610629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.708933 | 1.30102056 |
| 2 | 3p | 8.424201 | -.37815396 |
| 3 | 4p | 10.226072 | .07566861 |
| 4 | 5p | 2.763004 | .02399739 |
| 5 | 4p | 1.971270 | -.00755757 |
| 6 | 4p | 26.124303 | -.00230638 |
| 7 | 3p | 31.695284 | -.00054401 |
| 8 | 3p | 1.564597 | -.01659176 |
| ORB.ENERGY,a.u. | -19.074000 | ||
| NORM | 1.000000 | < R > | .361136 | < R2 > | .158937 | < 1/R > | 3.520375 | < 1/R**2 > | 16.876485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.365599 | .42000516 |
| 2 | 2s | 7.393897 | -.86929825 |
| 3 | 3s | 7.112170 | -.29167905 |
| 4 | 4s | 28.818587 | .00183090 |
| 5 | 3s | 15.702230 | .01598837 |
| 6 | 5s | 7.105586 | -.00796701 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412318 | < R2 > | .199523 | < 1/R > | 3.556801 | < 1/R**2 > | 51.482572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.180413 | .94115981 |
| 2 | 1s | 25.222931 | .05649228 |
| 3 | 2s | 14.496942 | .01864500 |
| 4 | 3s | 20.370251 | -.01477519 |
| 5 | 4s | 30.948440 | .00269968 |
| 6 | 5s | 59.378755 | .00009423 |
| 7 | 5s | 12.119394 | .00045566 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090895 | < R2 > | .011080 | < 1/R > | 16.605805 | < 1/R**2 > | 555.366554 |
Total Energy= -402.84792299 a.u.
Kinetic Energy= 402.83124453 a.u.
Potential Energy= -805.67916752 a.u.
Virial Ratio = -2.00004140