(1s 2 2s 2 2p 4 5p 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 1.869821 | .02673373 |
| 2 | 3p | .491799 | -.56621921 |
| 3 | 4p | .255174 | 3.00200960 |
| 4 | 5p | .247208 | -3.19875138 |
| 5 | 2p | 5.043541 | .00425978 |
| 6 | 5p | 2.254780 | .01267703 |
| 7 | 3p | 10.998847 | -.00014148 |
| ORB.ENERGY,a.u. | -.027395 | ||
| NORM | 1.000016 | < R > | 26.631659 | < R2 > | 798.506108 | < 1/R > | .050409 | < 1/R**2 > | .005698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.784439 | .67155583 |
| 2 | 2p | 6.023123 | .12157596 |
| 3 | 3p | 2.119258 | .25209753 |
| 4 | 4p | 6.352849 | .04750555 |
| 5 | 5p | 11.569738 | .00280448 |
| 6 | 5p | .358026 | .03140952 |
| 7 | 4p | .278776 | -.02891999 |
| 8 | 3p | .142365 | -.00321224 |
| ORB.ENERGY,a.u. | -1.146600 | ||
| NORM | 1.000000 | < R > | .970192 | < R2 > | 1.213371 | < 1/R > | 1.377888 | < 1/R**2 > | 2.732198 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.491969 | .30239283 |
| 2 | 2s | 3.281104 | -.83656305 |
| 3 | 3s | 2.607277 | -.31939823 |
| 4 | 4s | 4.809879 | .03021983 |
| 5 | 3s | 8.731530 | .02666062 |
| 6 | 5s | 19.305739 | .00072217 |
| 7 | 5s | 2.272018 | -.00510145 |
| 8 | 2s | 50.498936 | .00000742 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961013 | < R2 > | 1.108823 | < 1/R > | 1.503190 | < 1/R**2 > | 9.294359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231075 | .87187839 |
| 2 | 1s | 12.228051 | .12122914 |
| 3 | 1s | 9.976048 | .00272823 |
| 4 | 2s | 5.992353 | .01821086 |
| 5 | 3s | 8.172978 | -.00761505 |
| 6 | 4s | 17.150033 | .00292090 |
| 7 | 5s | 51.363636 | -.00004225 |
| 8 | 5s | 4.164583 | .00043961 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041564 | < 1/R > | 8.632424 | < 1/R**2 > | 150.886599 |
Total Energy= -98.85936108 a.u.
Kinetic Energy= 98.85398937 a.u.
Potential Energy= -197.71335045 a.u.
Virial Ratio = -2.00005434