(1s 2 2s 2 2p 3 4p 1 ) 3 P P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 2p | 7.398854 | .17692862 |
| 2 | 3p | 1.736943 | 2.41217569 |
| 3 | 4p | 3.096628 | -1.85931814 |
| 4 | 5p | 5.497394 | -.18363937 |
| 5 | 3p | 15.892109 | -.00172832 |
| 6 | 5p | 1.667324 | -.16893583 |
| 7 | 4p | 1.028908 | .02832537 |
| 8 | 3p | .767812 | -.01312709 |
| 9 | 4p | 73.172036 | .00000369 |
| ORB.ENERGY,a.u. | -2.252300 | ||
| NORM | .999999 | < R > | 2.556583 | < R2 > | 7.383404 | < 1/R > | .539966 | < 1/R**2 > | .784943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.778186 | 1.31573099 |
| 2 | 3p | 7.500471 | -.38852073 |
| 3 | 4p | 9.387186 | .07123602 |
| 4 | 5p | 2.276081 | .03118231 |
| 5 | 4p | 24.680272 | -.00194010 |
| 6 | 4p | 2.031900 | -.02295028 |
| 7 | 3p | 32.203725 | -.00028770 |
| 8 | 3p | 1.545019 | .00088225 |
| ORB.ENERGY,a.u. | -13.111000 | ||
| NORM | 1.000000 | < R > | .422334 | < R2 > | .217917 | < 1/R > | 3.018331 | < 1/R**2 > | 12.447538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.925604 | .40127119 |
| 2 | 2s | 6.376993 | -.85693058 |
| 3 | 3s | 6.105666 | -.28752295 |
| 4 | 4s | 25.454973 | .00208462 |
| 5 | 3s | 13.799021 | .01749695 |
| 6 | 5s | 6.231322 | -.01562398 |
| 7 | 4s | 1.879764 | .00015266 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478573 | < R2 > | .269207 | < 1/R > | 3.055276 | < 1/R**2 > | 38.048323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.174093 | .93174979 |
| 2 | 1s | 21.910188 | .06641787 |
| 3 | 2s | 12.611757 | .01837700 |
| 4 | 3s | 17.875426 | -.01483564 |
| 5 | 4s | 27.546631 | .00302517 |
| 6 | 5s | 53.890088 | .00008778 |
| 7 | 5s | 10.629572 | .00055007 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103388 | < R2 > | .014345 | < 1/R > | 14.610100 | < 1/R**2 > | 430.263683 |
Total Energy= -307.66859098 a.u.
Kinetic Energy= 307.64190956 a.u.
Potential Energy= -615.31050054 a.u.
Virial Ratio = -2.00008673