(1s 2 2s 2 2p 3 3p 1 ) 3 P Cl 9+
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 | 3.517946 | 1.31149745 |
| 2 | 3p | 3.703107 | -2.03137381 |
| 3 | 2p | 11.090379 | .07647233 |
| 4 | 4p | 6.414060 | -.07382151 |
| 5 | 5p | 3.300616 | -.02751206 |
| 6 | 4p | 15.621647 | .00526356 |
| 7 | 5p | 42.170594 | -.00005548 |
| 8 | 4p | 2.821508 | .01580758 |
| ORB.ENERGY,a.u. | -6.399000 | ||
| NORM | 1.000000 | < R > | 1.099591 | < R2 > | 1.369760 | < 1/R > | 1.192036 | < 1/R**2 > | 2.855132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.784377 | 1.26929232 |
| 2 | 3p | 8.737954 | -.32753046 |
| 3 | 4p | 10.732842 | .06084863 |
| 4 | 5p | 4.688388 | -.00983478 |
| 5 | 4p | 28.122658 | -.00171892 |
| 6 | 3p | 36.167303 | -.00026522 |
| 7 | 4p | 3.551299 | -.00562188 |
| ORB.ENERGY,a.u. | -18.166000 | ||
| NORM | .999999 | < R > | .358143 | < R2 > | .155170 | < 1/R > | 3.535561 | < 1/R**2 > | 16.981509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.382268 | .41799075 |
| 2 | 2s | 7.377146 | -.86749705 |
| 3 | 3s | 7.112489 | -.29080573 |
| 4 | 4s | 29.086269 | .00185325 |
| 5 | 3s | 15.475666 | .01641938 |
| 6 | 5s | 6.727623 | -.01112132 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .413580 | < R2 > | .200876 | < 1/R > | 3.546175 | < 1/R**2 > | 51.203756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.178043 | .94144745 |
| 2 | 1s | 25.265511 | .05622767 |
| 3 | 2s | 14.518080 | .01863081 |
| 4 | 3s | 20.465900 | -.01475747 |
| 5 | 4s | 30.994308 | .00269640 |
| 6 | 5s | 60.524535 | .00009096 |
| 7 | 5s | 12.865406 | .00049423 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090918 | < R2 > | .011086 | < 1/R > | 16.603051 | < 1/R**2 > | 555.221708 |
Total Energy= -407.15659693 a.u.
Kinetic Energy= 407.06096131 a.u.
Potential Energy= -814.21755825 a.u.
Virial Ratio = -2.00023494