(1s 2 2s 2 2p 6 3s 2 ) 1 S P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 1.494624 | 1.21110447 |
| 2 | 1s | 13.984871 | .05124361 |
| 3 | 2s | 6.198604 | -.59085657 |
| 4 | 3s | 4.687415 | -.55604200 |
| 5 | 4s | 2.455898 | .39653047 |
| 6 | 5s | 17.740564 | -.00297517 |
| 7 | 5s | 1.314150 | -.00134579 |
| 8 | 4s | 60.022974 | -.00001111 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.696152 | < R2 > | 3.274750 | < 1/R > | .792364 | < 1/R**2 > | 3.600209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.143761 | .45403551 |
| 2 | 3p | 6.263984 | .50104138 |
| 3 | 4p | 4.994587 | .15310224 |
| 4 | 5p | 3.691008 | .00615379 |
| 5 | 2p | 17.896432 | .00417356 |
| 6 | 5p | 35.844481 | -.00015239 |
| 7 | 3p | 3.442138 | -.00493055 |
| 8 | 3p | 83.341157 | .00000231 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .482059 | < R2 > | .289892 | < 1/R > | 2.711781 | < 1/R**2 > | 10.319697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.200847 | .36053782 |
| 2 | 2s | 6.058841 | -.82184032 |
| 3 | 3s | 5.190384 | -.29922384 |
| 4 | 4s | 23.485865 | .00213340 |
| 5 | 3s | 15.540581 | .00818387 |
| 6 | 2s | 3.085874 | -.01634481 |
| 7 | 5s | 43.861608 | .00006777 |
| 8 | 4s | 2.771697 | .00080011 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .513850 | < R2 > | .313393 | < 1/R > | 2.840962 | < 1/R**2 > | 33.254358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570399 | 1.01434013 |
| 2 | 2s | 20.432581 | -.02220597 |
| 3 | 3s | 10.622606 | .01921485 |
| 4 | 4s | 58.514100 | -.00050209 |
| 5 | 4s | 10.116081 | .00281211 |
| 6 | 5s | 74.301063 | .00017679 |
| 7 | 5s | 12.495936 | -.00814639 |
| 8 | 2s | 2.586889 | -.00013679 |
| 9 | 2s | 3.046088 | .00026384 |
| 10 | 3s | 118.529802 | -.00001119 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575212 | < 1/R**2 > | 428.681219 |
Total Energy= -338.56339599 a.u.
Kinetic Energy= 338.56339171 a.u.
Potential Energy= -677.12678770 a.u.
Virial Ratio = -2.00000001